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)
N-Hydroxy-4,5-dimethylthiazole-2(3H)-thione hemihydrate
✍ Scribed by Hartung, Jens ;Daniel, Kristina ;Gottwald, Thomas ;Svoboda, Ingrid ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 199 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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)].
📜 SIMILAR VOLUMES
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.
In the title compund, C~11~H~12~N~2~S, the whole molecule is essentially planar except for methyl H atoms, with a maximum deviation of 0.160 (2) Å for the aniline N atom. The molecule is stabilized by π–π interactions and intermolecular N—H...N hydrogen bonds, which produce dimers located about the
In the title compound, C 11 H 11 FN 2 S, the dihedral angle between the least-squares planes of the fluoroaniline and 1,3-thiazole fragments is 46.47 (17) . The molecules form dimers by N-HÁ Á ÁN hydrogen bonds. There are no significant interactions in the crystal structure.
In the title compound, C~17~H~17~NOS, the phenyl ring at position 6 of the thiazine ring is __trans__ to the hydroxy group. The thiazine ring is in a sofa conformation.
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.