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-(3-Flurobenzoyl)-N′-phenylthiourea
✍ Scribed by Zhang, You-Ming ;Qin, Jing-Dong ;Lin, Qi ;Wei, Tai-Bao
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 243 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
The molecule in the title compound, C~15~H~12~Cl~2~N~2~OS, adopts a __trans__–__cis__ configuration with respect to the positions of the phenylacetyl and 3,4-dichlorophenyl groups relative to the S atom across their C—N bonds. In the crystal structure, the molecules are linked by N—H...O and C—H...O
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.125 Data-to-parameter ratio = 17.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 10 H 12 N 2 O 2 S, adopts a cis±trans con®guration, where the phenyl group and the ethoxycarbonyl moiety lie, respectively, cis and trans relative to the S atom across the thiourea CÐN bonds. Both NÐH atoms participate in intermolecular hydrogen bonds and one also forms an intr