Publications

Modulating Helix-preference of an Axially-twisted Molecular Scaffold Through Diastereomeric Salt Formation with Tartaric Acid Stereoisomers


Akash Kumar Sharma, Shubham Som , Deepak Chopra*,  Aasheesh Srivastava * 

Chem. Eur. J. 2024, e202401956,  https://doi.org/10.1002/chem.202401956

Micro-Ring Morphology of Ag7NCs and Light-Induced Reversible Interconversion of FCC Ag14NCs via Cu2+ ions-Mediated Particle-Assisted Reversible Interconversion


Paritosh Mahato, Koushik Mandal, Khokan Paria, Deepak Chopra*, Saptarshi Mukherjee* 

Angew. Chem. Int. Ed. 2024, https://doi.org/10.1002/anie.202409141

Solvent and stoichiometry-dependent versatile organogelation and robust crystallization from the supramolecular association of adipic acid and triethanolamine


Gerald Lepcha, Indrajit Pal, Santanu Majumdar, Yogesh Dhasmana, Sanjay Mondal, Ennio Zangrando, Deepak Chopra*,  Biswajit Dey* 

New J. Chem, 2024, https://doi.org/10.1039/D4NJ00559G

Synthon Approach in Crystal Engineering to Modulate Physicochemical Properties in Organic Salts of Chlorpropamide


Anila M. Menon, Nagamalli Naga Sidhartha, Ipsha Shruti, Ajay Suresh, Ravindra Meena, Amol G. Dikundwar,* Deepak Chopra*

Mol. Pharmaceutics, 2024 https://doi.org/10.1021/acs.molpharmaceut.4c00043

Engineering mechanical compliance in polymers and composites for the design of smart flexible sensors


Shivank Sahu, Kamalesh Tripathy, Mitradip Bhattacharjee*, Deepak Chopra* 

Chem. Commun., 2024 60, 4382-4394

In Situ Crystallization, Differential Growth, and Multicolor Emission of Silver Nanoclusters


Paritosh Mahato, Koushik Mandal, Sameeksha Agrawal, Deepak Chopra and Saptarshi Mukherjee*

J. Phys. Chem. Lett., 2024 15, 461-470

Quantitative Investigation into the Role of Intermolecular Interactions in Crystalline Fluorinated Triazoles

Prantika Das, G. B. Dharma Rao, Subhrajyoti Bhandary, Koushik Mandal, Saikat Kumar Seth* and Deepak Chopra*


Cryst. Growth Des. 2023, https://doi.org/10.1021/acs.cgd.3c01096

Lithography and 3D Fabrication Processes: A Review

Abhishek Kumar, Swapnendu Narayan Ghosh, Santanu Talukder, and Deepak Chopra* 

ES Mater. Manuf. 2024, 23, 974

Synthesis of Quinoline and Quinolin-2(1H)-one Derivatives via Nickel Boride Promoted Reductive Cyclization

Rumpa Sarkar , Surya Kanta Samanta , Anila M. Menon , Deepak Chopra , Debabani Ganguly , Mrinal K. Bera*

Synthesis 2023. 55, 3303–3314

An Atom-Economic Method for 1,2,3-Triazole Derivatives via Oxidative [3 + 2] Cycloaddition Harnessing the Power of Electrochemical Oxidation and Click Chemistry.


Manas Bandyopadhyay ,  Sayan Bhadra,  Swastik Pathak,  Anila M. Menon, Deepak Chopra,  Snehangshu Patra, Jorge Escorihuela, Souradeep De, Debabani Ganguly,  Suman Bhadra, and  Mrinal K. Bera*


J. Org.Chem., 2023. 88, 15772–15782

Quantitative Investigation of Intermolecular Te···A (A =π/Te/H) Interactions in Organotellurium Compounds from the Cambridge Structural Database.

Barial Majhi, Vishal A. Lohar, Preeti Meena, Deepak Chopra*

Cryst. Growth Des., 2023, 23, 7922-7938

From liquid to crystal via mechanochemical grinding: unique host–guest (HOF) co­crystal

Shubham Som, Avantika Hasija, Deepak Chopra*

Acta Cryst. 2023. C79, 399–408    

Two-Dimensional Silver-Chalcogenolate-Based Cluster-Assembled Material: A p-type Semiconductor

Anish Kumar Das, Sourav Biswas, Arijit Kayal, Arthur C. Reber, Subhrajyoti Bhandary, Deepak Chopra, Joy Mitra, Shiv N. Khanna*, and Sukhendu Mandal*

Nano Lett., 2023, 23, 8923-8931    

Selective Dye Sorption and Metal Ions Sensing Behaviours of a New Cd-based MOF

Priyanka Manna, Avantika Hasija, Deepak Chopra and Partha Mahata*   

New J. Chem., 2023, 47, 19846-19855

Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour  

Pradip A. Gaikwad, Prodipta Samadder, Shubham Som, Deepak Chopra, * Prakash P. Neelakandan * and Aasheesh Srivastava *  

Nanoscale, 2023, 15, 14380-14387   

Role of mechanochemical synthesis in the crystal chemistry of leflunomide 

Vishal A. Lohar, Anila M. Menon, Ajay Suresh, and Deepak Chopra* 

CrystEngComm, 2023, 25, 4779-4792   

The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs

Kundan Singh Mehra , Shivangee Jha , Anila M. Menon , Deepak Chopra  and Jeyaraman Sankar * 

 Chem. Sci., 2023, 14, 3147-3153    

Quantitative evaluation of the electronic features involving the “Nucleophilic-Electrophilic” Character in the Chalcogen Sulfur 

Koushik Mandal, Avantika Hasija, Rahul Shukla,* Venkatesha R. Hathwar* and Deepak Chopra* 

Phys. Chem. Chem. Phys., 2023, 25, 19427-19434 

Synthesis, biological evaluation, and computational investigation of ethyl 2,4,6-trisubstituted-1,4-dihydropyrimidine-5-carboxylates as potential larvicidal agents against Anopheles arabiensis 

Polymorph Screening of the Antitumor Drug Ripretinib-Selective Preference of Dimer Synthons 

T. K. S. Fayaz, Parag Roy, Animesh Ghosh, Shubham Som, Deepak Chopra, and Palash Sanphui*

Cryst. Growth Des. 2023, 23, 2470–2484 

Plastic Deformation in a Molecular Crystal Enables a Piezoresistive Response

Avantika Hasija, Amy J. Thompson, Lakhvir Singh, Megha S. N., Kiran S. R. N. Mangalampalli, John. C. McMurtrie, Mitradip Bhattacharjee,* Jack K. Clegg,* and Deepak Chopra*


Small, 2023, 19, 2206169

Coupling Nonstoichiometric Zn0.76Co0.24S with NiCo2S4 Composite Nanoflowers for Efficient Synergistic Electrocatalytic Oxygen and Hydrogen Evolution Reactions

Rathindranath Biswas, Pooja Thakur, Imtiaz Ahmed, Tanmay Rom, Mir Sahidul Ali, Ranjit A. Patil, Bhupender Kumar, Shubham Som, Deepak Chopra, Avijit Kumar Paul, Yuan-Ron Ma, and Krishna Kanta Haldar*

Energy Fuels, 2023, 37, 1, 604–613 


Exploring the pH reliant high photocatalytic degradation of organic dyes using H-bonded Ni(II) coordination network

Priyanka Singha, Avantika Hasija, Chandrakant Thakur, Deepak Chopra, Kafeel Ahmad Siddiqui*

Journal of Molecular Structure, 2023, 1276, 134784


Characterization of non-covalent contacts in mono- and di-halo substituted acetaldehydes: Probing the substitution effects of electron donating and withdrawing groups

Deepak Patkar, Milind M. Deshmukh*, Deepak Chopra*

Phys. Chem. Chem. Phys., 2023, 25, 2946 




Nitrate and Nitrite Reductions at Copper(II) Sites: Role of Noncovalent Interactions from Second-Coordination-Sphere

Aditesh Mondal, Kiran P. Reddy, Shubham Som, Deepak Chopra, and Subrata Kundu*

Inorganic Chemistry, 2022, 61, 50, 20337-20345


Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate

Koushik Mandal, Sounak Sarkar, Peuli Ghosh, Venkatsha R. Hathwar, and Deepak Chopra*

Acta Cryst., 2022, C78, 597-605


Quantitative analysis of intermolecular interactions in crystalline substituted triazoles 

Dhananjay Dey, Saikat Seth*, T.P. Mohan, Deepak Chopra*


Journal of Molecular Structure, 2023, 1273, 134380


Exploring Polymorphism and Diversity in Intermolecular Interactions in Substituted Crystalline Benzophenones

Chaithanya P. Durge, Anila M. Menon, Dona Mathew, and Deepak Chopra*


Cryst. Growth Des., 2022, 22, 6686−6702


Unravelling the Origin of Solvate Formation in the Anti-cancer Drug Trametinib: Insights from Crystal Structure Analysis and Computational Modeling

Ipsha Shruti, Mubarak Almehairbi, Zeinab M. Saeed, Tamador Alkhidir, Wesam A. Ali, Rampal Vishwakarma, Sharmarke Mohamed*, Deepak Chopra*


Cryst. Growth Des., 2022, 22, 10, 5861–5871


AIEgens  Based  on  Anion−π+Interactions:  Design,  Synthesis, Photophysical Properties,   and   their   Applicationsin   Material Science and Biology

Apurba Lal Koner*, Deepak Chopra* and Nitin T. Patil* 


ChemBioChem, 2022, 23, e202200320 




Poling-Polarization-Mediated Centrosymmetric Charge-Transfer Organic-Cocrystal-Based Flexible Triboelectric Nanogenerator

Simadri Badatya, Rohit Bhowal, Koushik Mandal, Avanish Kumar Srivastava, Manoj Kumar Gupta,* and Deepak Chopra* 

ACS. Appl. Elect. Mat. 2022, 7, 3665–3678 

1,2,3-Triazolyl-Tetrahydropyrimidine Conjugates as Potential Sterol Carrier Protein-2 Inhibitors: Larvicidal Activity against Malaria Vector Anopheles arabiensis and In Silico Molecular Docking Study. 

K. N. Venugopala*, P. Shinu, C. Tratrat, P. K. Deb *, R. M. Gleiser, S. Chandrashekharappa, D. Chopra, M. Attimarad, A.B.Nair, N. Sreeharsha, F. M. Mahomoodally, M. Haroun, M. Kandeel, S.M.B. Asdaq, V. Mohanlall, N. A. Al-Shar’I, M. A. Morsy.

Molecules, 2022, 27, 2676-2792  

A practical route to arylated dihydroacridine derivatives via nickel boride mediated intramolecular reductive cyclization-concomitant dehydration.

R. Sarkar, S. K. Samanta, A. Hasija, D. Chopra, D. Ganguly, M. K. Bera*

New. J. Chem. 2022, 46, 7168-7176  

KI-TBHP mediated cascade oxidative annulations of enaminones: A facile approach towards 2, 4, 5-Trisubstituted oxazoles

Rimpa De, Avantika Hasija, Deepak Chopra, and Mrinal K. Bera

Tetrahedron. 2022, 120, 132906-132913.

Tetravalent Spiroselenurane Catalysts: Intramolecular Se‧‧‧N Chalcogen Bond Driven Catalytic Disproportionation of H2O2 to H2O and O2 and Activation of I2 and NBS

M. Batabyal, A.Upadhyay, R. Kadu, N. Birudukota, D. Chopra, S. Kumar

Inorg. Chem. 2022, 23, 8729–8745

Rh(III)-catalyzed one-step synthesis of ortho-alkynylated perylene imide dyes: Optical and electrochemical properties of new derivative

T. Chand, L. Khamari, D. Chopra, S. Mukherjee*, M. Kapur*

Chem. Eur. J. 2022, 28, e202200723

Imidazopyridine-fluoride interaction: solvent-switched AIE effects via S...O conformational locking

Annu Kumari, Wim Dehaen, Deepak Chopra*, Swapan Dey*

New. J. Chem. 2022, 46, 10628-10636

Preliminary understanding of experiments on single crystal X-ray crystallography

Yogesh Dhasmana, and Deepak Chopra*

Acc. Chem. Edu. Res, 2022, 1, 67-74

A direct entry to polycyclic quinoxaline derivatives via I2‐DMSO mediated oxidative decarboxylation of  α‐amino acids and subsequent Pictet_Spengler cyclization reaction

Surya Kanta Samanta, Rumpa Sarkar, Utsav Sengupta, Sayan Das, Debabani Ganguly, Avantika Hasija, Deepak Chopra and Mrinal K. Bera*

Org. Biomol. Chem. 2022, 20, 4650–4658

Interplay of Anion−π+ and π+−π+ Interactions ….. Applications in Live Cell Mitochondrial Imaging

Ravindra D. Mule, Rupam Roy, Koushik Mandal, Deepak Chopra, Tanoy Dutta, Shashank P. Sancheti, Popat S. Shinde, Somsuvra Banerjee, Apurba Lal Koner, Rohit Bhowal, Beeran Senthilkumar, Nitin T. Patil

Chem.Eur.J. 2022, 28, e2022006

Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates

Avantika Hasija, Shubham Som, and Deepak Chopra

Acta Cryst. 2022, B78, 179-194 

Diverse Mechanical Properties of 1,3-Bis(4-nitrophenyl) thiourea− DMSO Dimorphic Solvates 

Avantika Hasija, Subhrajyoti Bhandary, S. R. N. Kiran Mangalampalli, and Deepak Chopra* 

Cryst. Growth Des. 2022, 22, 2058-2065

Tracing shape memory effect and elastic bending in a conformationally flexible organic salt.

Avantika Hasija, Subham Ranjan, Sarah Guerin, S. R. N. Kiran Mangalampall*, Satoshi Takamizawa*, Deepak Chopra*

J. Mater. Chem. C, 2022, 10, 4257-4267

Structural investigation and Hirshfeld surface analysis of two polymorphs of 2-(4-Methylbenzamido)-5-(4-fluoro-3-phenoxyphenyl)-1,3,4-thiadiazoles

Ajay Suresh, Dhananjay Dey, Anila M Menon, Deepak Chopra *


Journal of the Indian Chemical Society, 2022, 99, 100374

2,2’ -Bipyridyl Chelated Ru(II)-Annulated NHC Complex of 1-Methyl-2-Pyridin-2-Yl-2H-Imidazo[1,5-a]Pyridin-4 Ylidene: Synthesis, Structure, Optical Properties, and DFT Interpretation

Bidyut Kumar Rana,* Joydev Dinda,* Pradip Kumar Mahapatra, Deepak Chopra, Valerio Bertolasi, Keshab M. Bairagi, Susanta K. Nayak, Himadri Sekhar Das, Santanab Giri and Gourisankar Roymahapatra


Eng. Sci., 2022, 17, 204-215

Experimental Crystal Structure Determination, 2021, CSD Communications

Rumpa Saha, Aparajita Mukherjee, Samaresh Bhattacharya*, Deepak Chopra*


DOI: 10.5517/ccdc.csd.cc29743t

Role of Ligand on Photophysical Properties of Nanoclusters with fcc Kernel: A Case Study of Ag14(SC6H4X)12(PPh3)8 (X = F, Cl, Br)

Anish Kumar Das, Roopesh Mekkat, Subarna Maity, Akhil S. Nair, Subhrajyoti Bhandary, Rohit Bhowal, Amitava Patra,* Biswarup Pathak, Deepak Chopra*, and Sukhendu Mandal*


Inorg. Chem. 2021, 60, 19270–19277

Se···O/S and S···O chalcogen bond in small molecules and proteins: A combined CSD and PDB study

Himanshu S. Biswal*, Akshay Kumar Sahu, Bartomeu Galmes, Antonio Frontera*, Deepak Chopra*


ChemBioChem. 2022, 23, e202100498

Organocatalytic Asymmetric Synthesis of Cyclic Acetals with Spirooxindole Skeleton

Amit Shikari, Koushik Mandal, Deepak Chopra and Subhas Chandra Pan*


Adv. Synth. Catal. 2022, 364, 58-63 

Structural Enhancement under X‑ray Irradiation in an Octanuclear Uranium-Based 3D Metal−Organic Framework.

 Nikhil Kumar, Rohit Bhowal, Deepak Chopra*, and Avijit Kumar Paul*


Cryst. Growth Des. 2021, 21, 5503–5507

Interplay of Halogen and Hydrogen Bonding through Co-crystallization in Pharmacologically Active Dihydropyrimidines: Insights from Crystal Structure and Energy Framework.

Keshab M. Bairagi, Kapil S. Ingle, Rohit Bhowal, Smital A. Mohurle, Avantika Hasija,Osama I. Alwassil, Katharigatta N. Venugopala, Deepak Chopra, and Susanta K. Nayak


ChemPlusChem, 2021, 86, 1167–1176

Interfacial Engineering of CuCo2S4/g‑C3N4 Hybrid Nanorods for Efficient Oxygen Evolution Reaction.

Rathindranath Biswas, Pooja Thakur, Gagandeep Kaur, Shubham Som, Monochura Saha, Vandna Jhajhria, Harjinder Singh, Imtiaz Ahmed, Biplab Banerjee, Deepak Chopra, Tapasi Sen, and Krishna Kanta Haldar


Inorg. Chem. 2021, 60, 12355-12366

Chalcogen and pnictogen bonds: insights and relevance

Rahul Shukla, and Deepak Chopra*.




Curr. Sci. 2021, 120, 1848-1853

Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization

Suprakash Biswas, Tanoy Dutta, Akshay Silswal, Rohit Bhowal, Deepak Chopra*, Apurba L. Koner




Chem. Sci., 2021, 12, 9630–9644

Synthesis, structural elucidation and larvicidal activity of novel arylhydrazones.

Nefisath P, Jagadeesh Prasad Dasappa, Haripriya B, Deepak Chopra, Katharigatta N. Venugopala, Pran Kishore Deb, Raquel M. Gleiser, Viresh Mohanlall, Rajendra Maharaj, Shashiprabha, Vishwanatha Poojary




J. Mol. Struct., 2021, 1236, 130305 -130314 

An Expedient Route to Diaryl Tetrahydropentalenedione Derivatives via Intramolecular Pauson- Khand Carbonylative Cycloaddition- Oxidation Protocol

Abhijit Nayak, Manas Bandyopadhyay, Deepak Chopra, and Mrinal K. Bera




ChemistrySelect, 2021, 6, 5290 –5294

Investigating the Role of Weak Interactions to Explore the Polymorphic Diversity in Difluorinated Isomeric N-phenylcinnamamides

Rohit Bhowal, and Deepak Chopra*




Cryst. Growth Des. 2021, 21, 4162−4177

Multicomponent Crystals of Chlorpropamide: Multiple Conformers, Multiple Z′, and Proton Transfer at Play

Haripriya B, Avantika Hasija, Aurora J. Cruz-Cabeza, Ipsha Shruti, and Deepak Chopra*




Cryst. Growth Des. 2021, 21, 3158-3167

Potential and Challenges of Engineering Mechanically Flexible Molecular Crystals

Avantika Hasija and Deepak Chopra*




CrystEngComm, 2021, 23, 5711-5730

Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide

Dhananjay Dey,  I. Shruti, Deepak Chopra* and T. P. Mohan




Acta Cryst, 2021, E77, 277–281.

Delivering Arsenic‑free Drinking Water‑Made Practically Possible: Continuous Scale Electrochemical Arsenic Remediation Process Furnished, based on Experimental Studies and ANN Simulation

Sudipta Ghosh (Nath), Anupam Debsarkar, Amit Dutta, Subhrajyoti Bhandary and Deepak Chopra*




Environ Dev Sustain, 2021, 23, 13087–13112

Probing Atomistic Behavior To Unravel Dielectric Phenomena in Charge Transfer Cocrystals

Rohit Bhowal, Anina Anju Balaraman, Manasi Ghosh*, Soma Dutta*, 

Krishna Kishor Dey* and Deepak Chopra*




J. Am. Chem. Soc. 2021, 143, 2, 1024-1037 

Understanding the molecular origin of solid-state emitting PMI realized from the detection of hazardous organic peroxide

Rupam Roy, Rohit Bhowal, Vikas Sharma, Deepak Chopra* and Apurba Lal Koner*




  J. Mater. Chem. C, 2021, 9, 1778-1785

Defects Engineering on Ceria and C–C Coupling Reactions Using [Au11(PPh3)7I3] Nanocluster: A Combined Experimental and Theoretical Study

Anish Kumar Das, Sayani Mukherjee, Sreehari S. R, Akhil S. Nair, Subhrajyoti Bhandary, Deepak Chopra, Dirtha Sanyal, Biswarup Pathak and  Sukhendu Mandal*




 ACS Nano,2020, 14, 16681–16688.

Quantitative Investigation of Weak Intermolecular Interactions of −F and −CF3 Substituted in Situ Cryocrystallized Benzaldehydes

Avantika Hasija, Rohit Bhowal and Deepak Chopra*


Cryst. Growth Des., 2020, 20,  7921–7933.

Unravelling the electronic nature of  C-F···O-C non-covalent interaction in proteins and small molecules in Solid state

Abhijit Rana, Bartomeu Galmés, Antonio Frontera*, Himansu S. Biswal*, Deepak Chopra*


Phys. Chem. Chem. Phys, 2020, 22, 25704-25711. 

Synthesis, characterization and larvicidal activity of novel benzylidene derivatives of fenobam and its thio analogues with crystal insight

Pandikatte Nefisath, Prasad D Jagadeesh, Haripriya B, N. Venugopala Katharigatta, Deb Pran Kishore, M. Gleiser Raquel, Mohanlall Viresh, Maharaj Rajendra, S Shashiprabha, Poojary Vishwanatha and Deepak Chopra*


J. Mol. Struct, 2020, 1226, 129386-129399.

The Mechanism of Bending in a Plastically Flexible Crystal

Subhrajyoti Bhandary, Amy J. Thompson, John C. McMurtrie, Jack K. Clegg,* Peuli Ghosh, S. R. N. Kiran Mangalapalli, Satoshi Takamizawa and

Deepak Chopra*


Chem. Commun., 2020, 56, 12841-12844.

Utilizing co-crystallization as a tool to unravel the structural diversity and electronic features of I...S halogen bonded interactions in stoichiomorphic co-crystals

Avantika Hasija, Deepak Chopra*


Cryst. Growth Des., 2020, 20, 6272–6282.

Investigation of intermolecular interactions in fluoro/trifluoromethyl derivatives of benzoylferrocene

Ajay Suresh, Supriya Ghosh, Deepak Chopra*


J. Mol. Struct, 2020, 1224, 129045.

Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes

Avantika Hasija, M. Shet Prakash, G. Krishnasamy, Deepak Chopra*


Crystal Structure Theory and Applications, 2020, 9, 49-62.

DBU-Catalyzed Rearrangement of Secondary Propargylic Alcohols: An Efficient and Cost-Effective Route to Chalcone Derivatives

Rimpa De, Antony Savarimuthu, Tamal Ballav, Pijush Singh, Jayanta Nanda, 

Avantika Hasija, Deepak Chopra*, Mrinal K. Bera


Synlett, 2020, 31, 1587-1592. 

Crystal structures of the anhydrous and two solvated forms in 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Annie Cleetus, Gulshan Rani, G. B. Dharma Rao, Deepak Chopra*


Acta Cryst. 2020, C76, 786-794. 

Improving solubility and intrinsic dissolution rate of ofloxacin API through salt formation via mechanochemical synthesis with diphenic acid.

Ajay Suresh, Shivani Gonde, Pradip Kumar Mondal, Jagabandhu Sahoo

Deepak Chopra*


J. Mol. Struct, 2020, 1221, 128806.

Oxacalix[4]arene Derived Dual Sensing Fluorescence Probe for the Detection of As (V) and Cr (VI) Oxyanions in Aqueous Media

Shuvankar Dey, Anshu Kumar, Pradip Kumar Mondal, Krunal M.Modi, 

Deepak Chopra*, Vinod K.Jain


Dalton Trans, 2020, 49, 7459-7466.

Lead Free, Aqua Stable A3Bi2I9 Perovskite: Crystal Growth and Blue Emitting Quantum dots [A = CH3NH3+, Cs+ and (Rb0.05Cs2.95)+]

Ramavath Babu, Subhrajyoti Bhandary, Deepak Chopra*, Surya Prakash Singh


Chem. Eur. J. 2020, 26, 10519-10527. 

Structural investigation of 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis.

Avantika Hasija, Subhrajyoti Bhandary, K.N.Venugopala, S.Chandrashekharappa, Deepak Chopra* 


Acta Cryst E, 2020, E76, 567-571

Organocatalytic Asymmetric Addition of Thioglycolates to O-Quinone methides: A route to 5-substituted-5H-benzoxathiepine-2(3H)-ones

C.Gharui, Satya Prakash, Deepak Chopra*, S.C.Pan


Org. Biomol. Chem, 2020, 18, 2828-2833.

Probing distinct nanomechanical behaviour of co-crystal and a known solvates of 5-fluoroisatin and identification of a new polymorph

Pradip Kumar Mandal, Subhrajyoti Bhandary, M.G.Javoor, Annie Cleetus, S.R.N.Kiran.Mangalampalli, U.Ramamurty, Deepak Chopra*


Cryst Eng Comm, 2020,22, 2566-2572.

Insights from Electron Density Analysis into the Charge Transfer Mechanism in a Photoluminescent Cocrystal of phenanthrene and tetrafluoro-1,4-benzoquinone

Venkatesha R. Hathwar, Rohit Bhowal, Deepak Chopra*


J. Mol. Struct. 2020, 1208, 127864. 

Unraveling the importance of H-bonds, σ-hole and π-hole directed intermolecular interaction in Nature

Subhajit Pramanik,Deepak Chopra*  


J. Ind. Inst. Sci. 2020, 100, 43-59.

Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid

Keshab M. Bairagi, Priyanka Pal, Subhrajyoti Bhandary, Katharigatta N. Venugopala, Deepak Chopra and Susanta K. Nayak*




Acta Cryst. 2019, E75, 1712–1718.

Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride

Pradip Kumar Mondal, Athulbabu T, Varun Rao and Deepak Chopra*




Acta Cryst. 2019, E75, 1084–1089.

Assessing the impact on aqueous solubility of berberine chloride via co-crystallization with different stoichiometric ratios of pyromellitic dianhydride

Manjeet Singh, Rohit Bhowal, Rampal Vishwakarma, Deepak Chopra*




J. Mol. Struct. 2020, 1200, 127086.

An Electron-Rich Helical Host for Exclusive Removal of a Planar Electron Deficient Organic Guest

Rajesh Kumar, Himanshu Aggarwal, Rohit Bhowal, Deepak Chopra* and Aasheesh Srivastava* 


Chem. Eur. J. 2019, 25, 10756-10762.

Exploring concomitant/conformational dimorphism in a difluoro substituted phosphoramidate derivative

Avantika Hasija, Deepak Chopra*


Acta Cryst. 2019, C75, 451-461.

Tuning the solid-state emission by co-crystallization through σ-and π-hole directed intermolecular interactions

Rohit Bhowal, Suprakash Biswas, Deviprasad A.S., Apurba L. Koner*, Deepak Chopra*


Cryst Eng Comm, 2019, 21, 1940–1947.

Evaluating the importance of fractional Z’ polymorphs in a trifluoromethylated N,N’-diphenyloxalamide derivative

Subhrajyoti Bhandary, Piyush Panini, and Deepak Chopra*


Cryst Eng Comm, 2019, 21, 1543–1547.

Guest solvent-dependence of the nanomechanical response in substituted dihydropyrimindinone crystals

Subhrajyoti Bhandary, Gulshan Rani, S R N Kiran Mangalampalli, G.B. Dharma Rao, Upadrasta Ramamurty, and Deepak Chopra*


Chem Asian J. 2019, 14, 607-611. 

Dissecting the Conformational and Interaction Topological Landscape of N-ethynylphenylbenzamide by the Device of Polymorphic Diversity

Subhrajyoti Bhandary, Shivani Gonde, and Deepak Chopra*


Cryst. Growth Des., 2019, 19, 1072−1085.

Exploring the Relationship between Intermolecular Interactions and Solid-state Photophysical Properties of Organic Co-crystals

Rohit Bhowal, Suprakash Biswas, Athulbabu Thumbarathil, Apurba L. Koner*, Deepak Chopra*


J. Phys. Chem. C, 2019, 123(14), 9311-9322.

Insight from Electron Density and Energy Framework Analysis on the structural features of Fx-TCNQ (x = 0, 2, 4) family of molecules

Rahul Shukla,  C. Ruzie,  G. Schweicher,  A. R Kennedy,  Y. H Geerts,  Deepak Chopra*,  B. Chattopadhyay


Acta Cryst. 2019, B75, 71-78.

Diversity in Mechanical Response in Donor Acceptor Coupled Cocrystal Stoichiomorphs Based on Pyrene and 1,8-Dinitroanthraquinone Systems

Manjeet Singh and Deepak Chopra*




Cryst. Growth Des., 2018, 18, 6670-6680.

Role of halogen involved intermolecular interactions and existence of isostructurality in the crystal packing of CF3 and halogen (Cl or Br or I) substituted benzamides

Pradip Kumar Mondal, Rahul Shukla, Subha Biswas and Deepak Chopra*


Acta Cryst. 2018, B74, 1-18.

Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative via experimental and theoretical Electron Density Analysis

Rahul Shukla, Nicolas Claiser, Mohamed Souhassou, Claude Lecomte*, Shah Jaimin Balkrishna, Sangit Kumar and Deepak Chopra*


IUCrJ, 2018, 5, 647-653.

Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2H-1,2,3- triazol-4-yl](thiophen-2-yl)-methanone

Subhrajyoti Bhandary, Y. R. Girish, K. N. Venugopala, and Dr. Deepak Chopra*


Acta Crystallographica Section E74, 2018, 1178.

Dispersion Stabilized Se/Te•••π Double Chalcogen Bonding Synthons in in situ Cryocrystallized Divalent Organochalcogen Liquids

Subhrajyoti Bhandary, Abhishek Sirohiwal, Rahul Kadu, Dr. Sangit Kumar*, and Dr. Deepak Chopra*


Cryst. Growth Des, 2018, 18, 3734. 

Similarities and differences in the crystal packing of halogen substituted Indole derivatives

Rahul Shukla, Paramveer Singh, Piyush Panini, and Deepak Chopra* 


Acta Crystallographica Section B74, 2018, 376.

Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X-ray studies 

K. M. Bairagi, K. N. Venugopala*, P. K. Mondal, R. M. Gleiser, D. Chopra*, D. García, B. Odhav, and S. K. Nayak*


Chem. Biol. Drug. Des. 2018, 92, 1924.

Structural insights into salts and a salt polymorph of nitrogen containing small organic molecules

Ramees P P, Ziya Afroz, Pradip Kumar Mondal, Jagabandhu Sahoo and Deepak Chopra*


J. Mol. Struct, 2018, 1170, 141.

Characterization of the short O=C•••O=C π-hole tetrel bond in the solid state

Rahul Shukla and Deepak Chopra* 


CrystEngComm, 2018, 20, 3308-3312.

Synthesis and characterization of a 2D covalent organic framework (COF) of hexagonal topology using boronate linkages

P P Ramess, Pradip Kumar Mondal, and Deepak Chopra*


Journal of Chemical Science, 2018, 130, 51. 

Characterization of electronic features of intermolecular interactions involving organic fluorine: Inputs from in situ cryo-crystallization studies on ‒F and ‒CF3 substituted anilines

Pradip Kumar Mondal, Venkatesha R. Hathwar and Deepak Chopra*


Journal of Fluorine Chemistry, 2018, 211, 37.

Assessing the Significance of Hexafluorobenzene as a Unique Guest Agent through Stacking Interactions in Substituted Ethynylphenyl benzamides

Subhrajyoti Bhandary and Deepak Chopra*


 Cryst. Growth Des., 2018, 18, 3027-3036. 

Observation of bending, cracking and jumping phenomena on cooling and heating of Tetrahydrate Berberine Chloride crystals

Manjeet Singh, Subhrajyoti Bhandary, Rohit Bhowal and Deepak Chopra*


 CrystEngComm, 2018, 50, 2253-2257.

Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition in riluzolium oxalate

Pradip Kumar Mondal, Varun Rao and Deepak Chopra*


CrystEngComm, 2018, 20, 2079-2083. 

Observation of 3D isostructurality in halogen substituted N-benzoyl-N-phenylbenzamides

Rahul Shukla, Susanta K. Nayak,* Deepak Chopra,* M. Kishore Reddy and Tayur N. Guru Row


J. Mol. Struct, 2018, 1164, 280.

Quantitative Investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl)benzamide and 2-Iodo-N-(4-bromophenyl)benzamide

Rahul Shukla, Susanta K. Nayak,* Deepak Chopra,* M. Kishore Reddy and Tayur N. Guru Row


J. Chem. Sci., 2018, 130, 38.

Cover page of the upcoming monograph in supramolecular chemistry

Royal Society of Chemistry (RSC), 2018

Edited by Dr. Deepak Chopra



Crystal Structure-Mechanical Property Correlations in N-(3-ethynylphenyl)-3-fluorobenzamide Polymorphs

Subhrajyoti Bhandary, Kiran S. R. N. Mangalampalli, Upadrasta Ramamurty and Deepak Chopra*


Cryst. Growth Des., 2018, 18, 47-51. 

Observation of Rapid Desolvation of Hexafluorobenzene Involving Single-Crystal-to-Single-Crystal Phase Transition in a Non-porous Organic Host

 Subhrajyoti Bhandary and Deepak Chopra*


Cryst. Growth Des., 2018, 18, 27-31.