Experimental and computational evidence for a stabilising C–Cl(lone-pair)⋯π(chelate-ring) interaction

• Main Authors: Tan, Sang Loon *, Lee, See Mun *, Lo, Kong Mun *, Otero-de-la-Roza, Alberto, Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: Royal Society of Chemistry 2021
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/1551/1/Tiekink%20accepted%20manuscript_crystengcomm%202021%2023%20119.pdf; http://eprints.sunway.edu.my/1551/; http://doi.org/10.1039/D0CE01478H
• Institution: Sunway University

In addition to a variety of conventional non-covalent intermolecular interactions such as C–H…π(arene), C–H…Cl and π(arene)…π(chelate-ring) contacts, the molecular packing in the crystal of an organotin dithiocarbamate compound, [SnCl(4-ClC6H4)2{S2CN(i-Pr)2}], exhibits evidence for a C–Cl…π(chelate-...