@article {47693,
	title = {Structure-property correlation of halogen substituted benzothiazole crystals},
	journal = {Journal of Molecular Structure},
	volume = {1243},
	year = {2021},
	month = {NOV },
	pages = {130765},
	type = {Article},
	abstract = {We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.},
	keywords = {Benzothiazole crystals, Elasticity, Halogen bond, mechanical properties},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2021.130765},
	author = {Thekkeppat, Nipun P. and Singla, Labhini and Tothadi, Srinu and Das, Priyadip and Choudhury, Angshuman Roy and Ghosh, Soumyajit}
}
@article {47764,
	title = {Different mechanical responses of dimorphic forms of anthracene schiffbase crystal},
	journal = {Journal of Molecular Structure},
	volume = {1252},
	year = {2022},
	month = {MAR},
	pages = {132182},
	type = {Article},
	abstract = {We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirshfeld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms (C) 2021 Elsevier B.V. All rights reserved.},
	keywords = {Anthracene schiffbase, Dimorphs, Elasticity, mechanical properties},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2021.132182},
	author = {Lakshmipathi, Madhumathi and Tothadi, Srinu and Emmerling, Franziska and Bhattacharya, Biswajit and Ghosh, Soumyajit}
}
@article {50161,
	title = {From brittle to elastic: substituent effects on mechanical flexibility in aromatic amide crystals},
	journal = {Chemistry-An Asian Journal},
	volume = {21},
	year = {2026},
	month = {MAY},
	pages = {e70795},
	type = {Article},
	abstract = {<p>
	Mechanical flexibility in molecular crystalline materials represents a compelling paradigm shift from the long-held perception of crystals as inherently brittle solids. Herein, we demonstrate a brittle-to-elastic transition by subtle molecular modification in a pair of structurally analogous aromatic amides; N-[(4-methoxyphenyl)methyl]formamide (N4MFA, Crystal 1) and N-benzylformamide (NBFA, Crystal 2). Despite their close structural similarity, Crystal 1 exhibits brittle fracture under minimal stress, whereas Crystal 2 shows 1D elastic flexibility with reversible bending. Structural, computational, and mechanical analyses reveal that this contrast arises from substituent-controlled supramolecular packing. In Crystal 1, the methoxy (-OCH3) group promotes dense, anisotropic packing, leading to rigidity and fracture under stress. Removing the substituent in Crystal 2 enhances isotropy, pi-pi stacking, and interlocked packing, enabling reversible strain during elastic bending. Nanoindentation, energy framework, and elastic tensor analyses confirm this transition: Crystal 2 shows near-isotropic stiffness (E max/E min = 1.65) and interconnected energy networks, whereas Crystal 1 exhibits pronounced anisotropy (E max/E min = 3.95) and 1D cohesion. Hirshfeld surface analysis supports more balanced contacts in the elastic crystal. This work establishes a direct structure-mechanical correlation, showing that minor chemical modifications can tune flexibility and provide insights to guide the development of adaptive crystalline materials.</p>
},
	keywords = {crystal engineering, Elasticity, Mechanical property, nanoindentation, responsive crystals},
	issn = {1861-4728},
	doi = {10.1002/asia.70795},
	author = {Bhowmik, Aritra and Das, Nirmal and Saxena, Ashish Kumar and Mishra, Kamini and Barsu, Nagaraju and Mishra, Manish Kumar}
}
