Open AccessHirshfeld Surface Investigation of Intermolecular Interaction of N-Aroyl-N’-(2-pyridyl)thiourea Derivatives
Author(s) -
Rafie Draman
Publication year - 2021
Publication title -
asm science journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.12
H-Index - 6
eISSN - 2682-8901
pISSN - 1823-6782
DOI - 10.32802/asmscj.2020.495
Subject(s) - thiourea , intermolecular force , intermolecular interaction , crystal structure , molecule , chemistry , crystallography , crystal (programming language) , benzamide , stereochemistry , organic chemistry , computer science , programming language
A detailed analysis of the intermolecular interactions of the crystalline structure of thiourea derivatives namely 1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)-thiourea, N-(2-Furoyl)-N’-(6-methyl-2-pyridyl)thiourea, 2-Methyl-N-[(3-methyl-2-pyridyl)-carbamothioyl]benzamide and 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea have been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. The result showed that the structures were stabilized by H···H, H···S, O···H, N···H, C–H···π, and π···π intermolecular interactions, which contribute mostly to the packing of the species in the crystal. The three largest contributions to the packing of the molecules in the crystals were provided by H···H, C–H···S and C··· H intermolecular interactions.