5-(4-Methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-3-yl benzoate at 100 K
✍ Scribed by Hartung, Jens ;Altermann, Sabine ;Svoboda, Ingrid ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 151 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 the carboxylate group are orthogonally arranged.
📜 SIMILAR VOLUMES
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.
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) = 0.005 A Ê R factor = 0.052 wR factor = 0.151 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.
The title compound, C 29 H 27 NO 7 , has a non-planar con®guration. The methoxycarbonylmethyl group exhibits an E con®guration. The crystal structure is stabilized by intermolecular OÐHÁ Á ÁO and CÐHÁ Á ÁO contacts.