3,3-Bis(2-hydroxyethyl)-1-[(4-methylphenyl)carbonyl]thiourea: crystal structure, Hirshfeld surface analysis and computational study

• Main Authors: Tan, Sang Loon *, Ainnul H. S. Azizan, *, Jotani, Mukesh M., Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/1102/1/Tiekink%203%203%20Bis%202%20hydroxyethyl%20Acta%20Cryst.%20%282019%29%20E75%201472.pdf; http://eprints.sunway.edu.my/1102/; http://doi.org/10.1107/S2056989019012581

In the title tri-substituted thiourea derivative, C13H18N2O3S, the thione-S and carbonyl-O atoms lie, to a first approximation, to the same side of the molecule [the S—C—N—C torsion angle is-49.3 (2)⁰]. The CN2S plane is almost planar (r.m.s. deviation = 0.018 A ˚ ) with the hydroxyethyl groups lying...