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.
5-(4-Methoxyphenyl)-4-methylthiazole-2(3H)-thione
✍ Scribed by Hartung, Jens ;Daniel, Kristina ;Svoboda, Ingrid ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 138 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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)-thione plane.
📜 SIMILAR VOLUMES
The cyclohexyl ring of the title compound, C 20 H 25 NS 2 , has a chair conformation. The dihedral angle between the thiazole and phenyl rings is 89.70 (2) . The crystal structure involves two weak intramolecular C-HÁ Á ÁS hydrogen-bond contacts.
In the title compound, C 18 H 23 NS 2 , the bond lengths and angles are unexceptional. The butyl chain is in a fully extended conformation. The dihedral angle between the thiazole and phenyl rings is 87.21 (2) . The crystal structure is stabilized by one weak intramolecular C-HÁ Á ÁS hydrogen bond.
The molecular structure of (I), with 50% probability displacement ellipsoids.
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.