A Z arrangement of substituents about the carboxylate C-O bond causes a syn positioning of the carbonyl O atom and the heterocyclic part of the title compound, C 18 H 15 NO 3 S. The carboxylate entity is inclined by À28.1 (3) to the phenyl group. The planes of the thiazol-2(3H)-thione subunit and th
4-Methyl-2-thioxo-2,3-dihydrothiazol-3-yl 4-methylphenyl carbonate
✍ Scribed by Hartung, Jens ;Schneiders, Nina ;Bergsträsser, Uwe
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 180 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.040 wR factor = 0.116 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 16 H 13 N 3 OS, the plane of the -C-CH N-NH-C-bridge makes dihedral angles of 7.9 (2) and 11.9 (4) with the planes of the phenol and thiazole rings, respectively. In the molecule, there are two intramolecular interactions of type O-HÁ Á ÁN and C-HÁ Á ÁN. In the crystal struc
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.065 wR factor = 0.176 Data-to-parameter ratio = 11.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê Disorder in main residue R factor = 0.059 wR factor = 0.114 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.