Isomorphism in a Series of Five Homologous Compounds Anmol Andotra, Susobhan Das, C. Elizabeth Killalea, Ferdinando Malagreca, Caterina Zuffa, Priya Pandey, Shehzad Khan, Jun Liu, Roland C. Fischer, Andrew S. Dunn, Ryusei Oketani, Lucia Maini, Roland Resel, Yves H. Geerts Crystal Growth and Design, 2026 High Resolution Image Download MS PowerPoint Slide This study examines the relationship between molecular structure and crystal packing in organic crystals of homologous compounds, with an emphasis on isomorphism─the ability of a series of molecules to maintain the same space group and homothetic unit cell when they crystallize despite variations in chemical composition. This phenomenon challenges the conventional view that distinct molecular structures lead to diverse crystalline forms, particularly for chiral molecules, where the interplay between chirality and molecular symmetry within crystal lattices remains poorly understood. Herein, we present the first structurally consistent series of five m -Y-phenyl- N,N -diisopropylglyoxylamide derivatives (Y = H, F, Cl, Br, or I), exemplifying a rare case of isomorphism within a homologous set of achiral molecules in solution that crystallize as conglomerates by adopting a twisted chiral conformation. These enantiomorphic crystals were manually resolved using Pasteur’s method, enabling direct investigation of symmetry breaking at the morphological level. Continuous chirality measures quantitatively confirm consistent chiral behavior at both the molecular and crystalline levels, while the unit cell similarity index further validates the isomorphic nature of the series. Thermal analyses reveal systematic trends in stability across the series, while crystallographic studies demonstrate the persistence of packing motifs and supramolecular chirality. Overall, this work introduces a rare class of chiral molecular materials derived from chemically distinct achiral molecules that exhibit isomorphic molecular packing. These systems are broadly relevant to fields ranging from pharmaceuticals to functional materials, where small variations in the solid-state structure can lead to substantial differences in performance.
Boric acid as supramolecular graphite Susobhan Das, Khushboo Yadava, C. Malla Reddy, Subhankar Saha Chemical Communications, 2025 Lubrication in molecular crystals.
Control of Polymorphism and Alignment in Photochromic Salicylideneaniline Crystals Grown by Directional Crystallization Yuki Hagiwara, Guillaume Schweicher, Susobhan Das, Shodai Hasebe, Toru Asahi, Hideko Koshima, Yves Henri Geerts Crystal Growth and Design, 2025 Molecular crystals hold potential applications in soft and flexible devices because of their periodic arrangements, flexibility to design, lightweight, and tunable supramolecular connections. Their rich polymorphism offers the additional advantage that the properties of different crystal forms can be studied for a given molecular structure. This study focuses on the directional crystallization of salicylideneaniline to control its polymorphic α and β forms. We discovered that upon directional crystallization from nonground β crystals, the metastable α form was yielded with well-aligned crystal habits. In contrast, by grinding β crystals before directional crystallization, the stable β form was surprisingly produced. These polymorphs were determined using X-ray diffraction, and their differences in photochromic behaviors have been investigated. This study confirms directional crystallization as a novel approach to polymorphic control. It provides a promising method for fabricating well-aligned, shape-specific, and desired polymorphic crystalline materials suitable for device fabrication.
On the importance of crystal structures for organic thin film transistors Guillaume Schweicher, Susobhan Das, Roland Resel, Yves Geerts Acta Crystallographica Section C Structural Chemistry, 2024 Historically, knowledge of the molecular packing within the crystal structures of organic semiconductors has been instrumental in understanding their solid-state electronic properties. Nowadays, crystal structures are thus becoming increasingly important for enabling engineering properties, understanding polymorphism in bulk and in thin films, exploring dynamics and elucidating phase-transition mechanisms. This review article introduces the most salient and recent results of the field.
Gas Release as an Efficient Strategy to Tune Mechanical Properties and Thermoresponsiveness of Dynamic Molecular Crystals Susobhan Das, Luca Catalano, Yves Geerts Small, 2024 Dynamic molecular crystals combining multiple and finely tunable functionalities are attracting and an increasing attention due to their potential applications in a broad range of fields as efficient energy transducers and stimuli‐responsive materials. In this context, a multicomponent organic salt, piperazinium trifluoroacetate (PZTFA), endowed with an unusual multidimensional responsive landscape is reported. Crystals of the salt undergo smooth plastic deformation under mechanical stress and thermo‐induced jumping. Furthermore, via controlled crystal bending and release of trifluoroacetic acid from the lattice, which is anticipated from the design of the material, both the mechanical response and the thermoresponsive behavior are efficiently tuned while partially preserving the crystallinity of the system. In particular, mechanical deformation hampers guest release and hence the macroscopic jumping effect, while trifluoroacetic acid release stiffens the crystals. These complex adaptive responses establish a new crystal engineering strategy to gain further control over dynamic organic crystals.
Exceptional Thermo-Mechano-Fluorochromism and Nanomechanical Analysis of Mechanically Responsive J and H Type Polymorphic Systems Poonam Deka, Susobhan Das, Parishmita Sarma, Kalyan J. Kalita, Ratheesh K. Vijayaraghavan, C. Malla Reddy, Ranjit Thakuria Crystal Growth and Design, 2024 Mechanically responsive organic crystals with thermo-mechano-fluorochromic behavior are relatively scarce. A polymorphic J and H aggregate system with such mechanosalient properties has potential importance for the understanding of structure-mechanochromic luminescence. Herein, we not only carefully investigated the nanomechanical properties of a polymorphic organic fluorophore of (biphenyl-4-ylmethylidene) propanedinitrile but also demonstrated their exceptional thermo-mechanochromic luminescence. Both the polymorphs were characterized using single crystal X-ray diffraction, solid-state UV, SSFL, nanoindentation, Hirshfeld surfaces, energy frameworks, powder X-ray diffraction, and differential scanning calorimetry thermograms. Relatively weak π–π stacking interactions present in the crystal structures govern the hypsochromic shift on mechanical grinding. Density functional theory calculations provide tremendous support to shed light on the origin of the distinct photophysical properties of the two polymorphs.
Heparin-Induced Dual Mode Luminescence Modulation of Organic Nanoparticles and Efficient Energy Transfer Rakesh Biswas, Susobhan Das, Horst Puschmann, Supratim Banerjee Chemistry an Asian Journal, 2023 Amphiphilic di‐cationic fumaronitrile derivatives with peripheral n‐alkyl chains formed organic nanoparticles (NPs) through self‐assembly in aqueous media. The NPs exhibited enhanced luminescence in both steady‐state and delayed mode in comparison to their molecularly dissolved state. Due to the presence of the multivalent array of positive charges on their surface, they were found to bind heparin, a bio‐polyanion which is routinely employed during surgery as an anticoagulant. The electrostatically driven co‐assemblies resulted in a significant enhancement in the steady‐state and delayed luminescence of the NPs. This provided a highly sensitive detection of the polyanion in aqueous buffer as well as in highly competitive serum and plasma media. Furthermore, and most notably, the heparin based co‐assemblies were found to act as efficient donors exhibiting fluorescence resonance energy transfer (FRET) to acceptor dyes with the energy transfer efficiency reaching up to 88%.
Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange Trishna Rajbongshi, Kashyap Kumar Sarmah, Susobhan Das, Poonam Deka, Arijit Saha, Binoy K. Saha, Horst Puschmann, C. Malla Reddy, Ranjit Thakuria Chemical Communications, 2023 A unique set of carbamazepine (CBZ) non-stoichiometric cocrystal hydrates with 34/35DHBA have been synthesized which are facilitated by their isostructural nature with the CBZ dihydrate, resulting in coformer–water exchange (molecular alloy).
Isomorphism in a Series of Five Homologous Compounds A Andotra, S Das, CE Killalea, F Malagreca, C Zuffa, P Pandey, S Khan, ... Crystal Growth & Design , 2026 2026
Control of Polymorphism and Alignment in Photochromic Salicylideneaniline Crystals Grown by Directional Crystallization Y Hagiwara, G Schweicher, S Das, S Hasebe, T Asahi, H Koshima, ... Crystal Growth & Design 25 (7), 2090-2098 , 2025 2025
Boric acid as supramolecular graphite S Das, K Yadava, CM Reddy, S Saha Chemical Communications 61 (90), 17649-17652 , 2025 2025 Citations: 2
Plasticization of a stiff pharmaceutical solid for better tabletability via cocrystallization: Shape synthons as supramolecular protecting groups A Mondal, B Bhattacharya, H Chen, S Khazaei, S Das, S Bhunia, S Dey, ... Chemical Engineering Research and Design 210, 506-512 , 2024 2024 Citations: 2
On the importance of crystal structures for organic thin film transistors G Schweicher, S Das, R Resel, Y Geerts Crystal Structure Communications 80 (10) , 2024 2024 Citations: 7
Gas release as an efficient strategy to tune mechanical properties and thermoresponsiveness of dynamic molecular crystals S Das, L Catalano, Y Geerts Small 20 (34), 2401317 , 2024 2024 Citations: 12
Exceptional Thermo-Mechano-Fluorochromism and Nanomechanical Analysis of Mechanically Responsive J and H Type Polymorphic Systems P Deka, S Das, P Sarma, KJ Kalita, RK Vijayaraghavan, CM Reddy, ... Crystal Growth & Design 24 (6), 2322-2330 , 2024 2024 Citations: 10
Tris chelated meridional isomers of Co (III) complexes: Synthesis, crystal structure, protein binding, cytotoxicity studies and DFT/TDDFT calculation D Saren, S Das, A Paul, SS Tat, MK Santra, TK Si, H Puschmann, ... Inorganica Chimica Acta 550, 121423 , 2023 2023 Citations: 9
Heparin‐Induced Dual Mode Luminescence Modulation of Organic Nanoparticles and Efficient Energy Transfer R Biswas, S Das, H Puschmann, S Banerjee Chemistry–An Asian Journal 18 (9), e202300100 , 2023 2023 Citations: 5
Non-stoichiometric carbamazepine cocrystal hydrates of 3, 4-/3, 5-dihydroxybenzoic acids: coformer–water exchange T Rajbongshi, KK Sarmah, S Das, P Deka, A Saha, BK Saha, ... Chemical Communications 59 (26), 3902-3905 , 2023 2023 Citations: 10
Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism R Samanta, S Das, S Mondal, T Alkhidir, S Mohamed, SP Senanayak, ... Chemical Science 14 (6), 1363-1371 , 2023 2023 Citations: 70
Viscoelastic covalent organic nanotube fabric via macroscopic entanglement K Koner, S Das, S Mohata, NT Duong, Y Nishiyama, S Kandambeth, ... Journal of the American Chemical Society 144 (35), 16052-16059 , 2022 2022 Citations: 21
Temperature‐reliant dynamic properties and elasto‐plastic to plastic crystal (rotator) phase transition in a metal oxyacid salt S Das, S Saha, M Sahu, A Mondal, CM Reddy Angewandte Chemie 134 (8), e202115359 , 2022 2022 Citations: 38
On the elasticity of Copper (II) acetylacetonate crystals S Das, G Vreeman, U Ramamurty, CC Sun, CM Reddy ChemRxiv 2021 (0804) , 2021 2021
Harnessing molecular rotations in plastic crystals: a holistic view for crystal engineering of adaptive soft materials. S Das, A Mondal, CM Reddy Acta Cryst 77, C1017 , 2021 2021
Metal-like ductility and malleability in organic plastic crystals A Mondal, B Bhattacharya, S Das, S Bhunia, R Chowdhury, S Dey, ... Acta Cryst 77, C1224 , 2021 2021
Autonomous self-repair in piezoelectric molecular crystals S Bhunia, S Chandel, SK Karan, S Dey, A Tiwari, S Das, N Kumar, ... Science 373 (6552), 321-327 , 2021 2021 Citations: 183
Elastic orange emissive single crystals of 1, 3-diamino-2, 4, 5, 6-tetrabromobenzene as flexible optical waveguides V Gude, PS Choubey, S Das, SB BN, CM Reddy, K Biradha Journal of Materials Chemistry C 9 (30), 9465-9472 , 2021 2021 Citations: 31
Metal‐like Ductility in Organic Plastic Crystals: Role of Molecular Shape and Dihydrogen Bonding Interactions in Aminoboranes A Mondal, B Bhattacharya, S Das, S Bhunia, R Chowdhury, S Dey, ... Angewandte Chemie International Edition 59 (27), 10971-10980 , 2020 2020 Citations: 100
Screening, crystal structures and solubility studies of a series of multidrug salt hydrates and cocrystals of fenamic acids with trimethoprim and sulfamethazine B Bhattacharya, S Das, G Lal, SR Soni, A Ghosh, CM Reddy, S Ghosh Journal of Molecular Structure 1199, 127028 , 2020 2020 Citations: 71
MOST CITED SCHOLAR PUBLICATIONS
Harnessing molecular rotations in plastic crystals: a holistic view for crystal engineering of adaptive soft materials S Das, A Mondal, CM Reddy Chemical Society Reviews 49 (24), 8878-8896 , 2020 2020 Citations: 241
Autonomous self-repair in piezoelectric molecular crystals S Bhunia, S Chandel, SK Karan, S Dey, A Tiwari, S Das, N Kumar, ... Science 373 (6552), 321-327 , 2021 2021 Citations: 183
Metal‐like Ductility in Organic Plastic Crystals: Role of Molecular Shape and Dihydrogen Bonding Interactions in Aminoboranes A Mondal, B Bhattacharya, S Das, S Bhunia, R Chowdhury, S Dey, ... Angewandte Chemie International Edition 59 (27), 10971-10980 , 2020 2020 Citations: 100
Screening, crystal structures and solubility studies of a series of multidrug salt hydrates and cocrystals of fenamic acids with trimethoprim and sulfamethazine B Bhattacharya, S Das, G Lal, SR Soni, A Ghosh, CM Reddy, S Ghosh Journal of Molecular Structure 1199, 127028 , 2020 2020 Citations: 71
Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism R Samanta, S Das, S Mondal, T Alkhidir, S Mohamed, SP Senanayak, ... Chemical Science 14 (6), 1363-1371 , 2023 2023 Citations: 70
Temperature‐reliant dynamic properties and elasto‐plastic to plastic crystal (rotator) phase transition in a metal oxyacid salt S Das, S Saha, M Sahu, A Mondal, CM Reddy Angewandte Chemie 134 (8), e202115359 , 2022 2022 Citations: 38
Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies B Bhattacharya, A Mondal, SR Soni, S Das, S Bhunia, KB Raju, A Ghosh, ... CrystEngComm 20 (41), 6420-6429 , 2018 2018 Citations: 36
Elastic orange emissive single crystals of 1, 3-diamino-2, 4, 5, 6-tetrabromobenzene as flexible optical waveguides V Gude, PS Choubey, S Das, SB BN, CM Reddy, K Biradha Journal of Materials Chemistry C 9 (30), 9465-9472 , 2021 2021 Citations: 31
Viscoelastic covalent organic nanotube fabric via macroscopic entanglement K Koner, S Das, S Mohata, NT Duong, Y Nishiyama, S Kandambeth, ... Journal of the American Chemical Society 144 (35), 16052-16059 , 2022 2022 Citations: 21
Gas release as an efficient strategy to tune mechanical properties and thermoresponsiveness of dynamic molecular crystals S Das, L Catalano, Y Geerts Small 20 (34), 2401317 , 2024 2024 Citations: 12
Exceptional Thermo-Mechano-Fluorochromism and Nanomechanical Analysis of Mechanically Responsive J and H Type Polymorphic Systems P Deka, S Das, P Sarma, KJ Kalita, RK Vijayaraghavan, CM Reddy, ... Crystal Growth & Design 24 (6), 2322-2330 , 2024 2024 Citations: 10
Non-stoichiometric carbamazepine cocrystal hydrates of 3, 4-/3, 5-dihydroxybenzoic acids: coformer–water exchange T Rajbongshi, KK Sarmah, S Das, P Deka, A Saha, BK Saha, ... Chemical Communications 59 (26), 3902-3905 , 2023 2023 Citations: 10
Tris chelated meridional isomers of Co (III) complexes: Synthesis, crystal structure, protein binding, cytotoxicity studies and DFT/TDDFT calculation D Saren, S Das, A Paul, SS Tat, MK Santra, TK Si, H Puschmann, ... Inorganica Chimica Acta 550, 121423 , 2023 2023 Citations: 9
On the importance of crystal structures for organic thin film transistors G Schweicher, S Das, R Resel, Y Geerts Crystal Structure Communications 80 (10) , 2024 2024 Citations: 7
Heparin‐Induced Dual Mode Luminescence Modulation of Organic Nanoparticles and Efficient Energy Transfer R Biswas, S Das, H Puschmann, S Banerjee Chemistry–An Asian Journal 18 (9), e202300100 , 2023 2023 Citations: 5
rsc. li/chem-soc-rev S Das, A Mondal, CM Reddy, YB Chen, PC Qian, LW Ye Chem. Soc. Rev 49, 8873-8877 , 2020 2020 Citations: 4
Boric acid as supramolecular graphite S Das, K Yadava, CM Reddy, S Saha Chemical Communications 61 (90), 17649-17652 , 2025 2025 Citations: 2
Plasticization of a stiff pharmaceutical solid for better tabletability via cocrystallization: Shape synthons as supramolecular protecting groups A Mondal, B Bhattacharya, H Chen, S Khazaei, S Das, S Bhunia, S Dey, ... Chemical Engineering Research and Design 210, 506-512 , 2024 2024 Citations: 2
Isomorphism in a Series of Five Homologous Compounds A Andotra, S Das, CE Killalea, F Malagreca, C Zuffa, P Pandey, S Khan, ... Crystal Growth & Design , 2026 2026
Control of Polymorphism and Alignment in Photochromic Salicylideneaniline Crystals Grown by Directional Crystallization Y Hagiwara, G Schweicher, S Das, S Hasebe, T Asahi, H Koshima, ... Crystal Growth & Design 25 (7), 2090-2098 , 2025 2025