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.
N-Ethoxycarbonyl-N′-phenylthiourea
✍ Scribed by Zhang, You-Ming ;Wei, Tai-Bao ;Xian, Liang ;Lin, Qi ;Yu, Kai-Bei
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 132 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 intramolecular hydrogen bond. The molecules in the crystal pack in alternating orientations to form ribbons.
📜 SIMILAR VOLUMES
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 11 H 20 O 4 N 2 S, has a planar skeleton and its crystal structure is stabilized by extensive intermolecular (NÐHÁ Á ÁS) and intramolecular (NÐHÁ Á ÁO and CÐHÁ Á ÁO) hydrogen-bonding interactions.
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.