Structure-mechanical property correlation of a series of 4-(1-Napthylvinyl) pyridine based cocrystals

• Published in: Journal of molecular structure Vol. 1268; p. 133670
• Main Authors: Lakshmipathi, Madhumathi, Emmerling, Franziska, Bhattacharya, Biswajit, Ghosh, Soumyajit
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.11.2022
• Subjects: Cocrystals; Halogen bond interaction; Mechanical properties; Structure-mechanical property correlation; Mechanical properties; Structure-mechanical property correlation; Halogen bond interaction; Cocrystals
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2022.133670

•Cocrystals (1–3) were grown by slow evaporation technique.•Structure-mechanical property was studied in detail.•Selection of coformer molecules can modulate the mechanical property outcome. We obtained three 4-(1-Napthylvinyl) pyridine based cocrystals (1–3) and studied its structure mechanical property correlation which aimed towards various applications for photo switches, mechanical actuators etc. Selection of coformer molecules is important in fine tuning mechanical property outcome of synthesized cocrystals. Amongst three cocrystals, cocrystal 1 is mechanically flexible and its mechanical property is attributed to underlying crystal packing features which is in line with existing elastically bendable crystals while other two cocrystals (2, 3) are brittle in nature. Hirshfeld analysis was carried out to illustrate structure-property correlation particularly in terms of number as well as types of non-covalent interactions in the lattice and further to corroborate the space of the molecules in the lattice. [Display omitted]