Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.003 A Ê R factor = 0.039 wR factor = 0.105 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
5-Amino-1,3-benzothiazole-2(3H)-thione
✍ Scribed by Zhong, Hui-Ping ;Long, La-Sheng ;Huang, Rong-Bin ;Zheng, Lan-Sun ;Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 158 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.004 A Ê R factor = 0.056 wR factor = 0.125 Data-to-parameter ratio = 15.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The molecules of the title compound, C 11 H 11 NOS 2 , form hydrogen-bonded dimers in the solid state. The amide H atom serves as hydrogen-bond donor and the thiocarbonyl S atom of a neighbouring molecule serves as acceptor. The pmethoxyphenyl substituent is tilted by 7.3 (5) from the thiazole-2(3H)
The geometry of the title compound, C 5 H 7 NOS 2 Á0.5H 2 O, is characterized by a planar N,S-heterocyclic core that is distorted from a regular pentagon. Solvent water participates in non-chelated hydrogen bonds and acts as a twofold donor (O-HÁ Á ÁS C) and a twofold acceptor [OÁ Á ÁH-O(-N)].
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.128 Data-to-parameter ratio = 13.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The asymmetric unit of the title compound, C 12 H 12 N 2 OS, contains two crystallographically independent molecules. Both molecules are essentially planar and stabilized by intraand intermolecular hydrogen-bonding interactions to form one-dimensional zigzag polymeric chains parallel to the c axis.