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

• Main Authors: Tan, Sang Loon *, Jotani, Mukesh M., Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2020
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/1225/1/Tiekink%20Acta%20Cryst%202020%20E76%20155.pdf; http://eprints.sunway.edu.my/1225/; http://doi.org/10.1107/S2056989019017328
• Institution: Sunway University

In the title compound, C12H15N3O5S, a trisubstituted thiourea derivative, the central CN2S chromophore is almost planar (r.m.s. deviation = 0.018 A˚ ) and the pendant hydroxyethyl groups lie to either side of this plane. While to a first approximation the thione-S and carbonyl-O atoms lie to the sa...