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
N-Ethoxycarbonyl-N′-(2-methylphenyl)thiourea
✍ Scribed by Lin, Qi ;Zhang, You-Ming ;Wei, Tai-bao ;Wang, Hai
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 308 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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.
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
The structure of the title compound, C 17 H 20 N 2 S, exhibits hydrogen bonding of the type N-HÁ Á ÁS, resulting in chains of molecules running along the b axis.
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.