The title compound, C~12~H~16~N~2~OS, adopts a __trans__–__cis__ configuration of the 3-methylbutyryl and phenyl groups, respectively, with respect to the thiono S atom, across the thiourea C—N bonds. An intramolecular N—H...O hydrogen bond is formed and intermolecular N—H...O and N—H...S interactio
N-Phenylethyl-N'-[3-(trifluoromethyl)phenyl]thiourea
✍ Scribed by Chopra, Deepak ;Choudhury, A. R. ;Nagarajan, K. ;Guru Row, T. N.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 302 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 213 K Mean '(C±C) = 0.004 A Ê Disorder in solvent or counterion R factor = 0.047 wR factor = 0.125 Data-to-parameter ratio = 10.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.042 wR factor = 0.115 Data-to-parameter ratio = 15.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title compound, C~14~H~11~FN~2~OS, the molecules form centrosymmetric hydrogen-bonded dimers, with the S atom forming an intermolecular hydrogen bond with the H atom of an NH group.
Single-crystal X-ray study T = 213 K Mean '(C±C) = 0.004 A Ê R factor = 0.053 wR factor = 0.148 Data-to-parameter ratio = 16.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.