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

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...

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Main Authors: Tan, Sang Loon *, Ainnul H. S. Azizan, *, Jotani, Mukesh M., Tiekink, Edward R. T. *
格式: Article
语言:English
出版: International Union of Crystallography 2019
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在线阅读: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
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