In the crystal structure of the title compound, C 8 H 12 N 2 O 2 S, the molecules are linked into centrosymmetric dimers by a pair of strong O-HÁ Á ÁO hydrogen bonds. Intermolecular SÁ Á ÁS contacts between adjacent dimers generate a sheet-like structure running parallel to the (211) plane.
Ethyl 3-methyl-1-(3-methylbenzoyl)-5-(methylsulfanyl)-1H-pyrazole-4-carboxylate
✍ Scribed by Wen, Li-Rong ;Zhao, Gui-Long ;Li, Ming ;Li, Xue-Mei ;Zhang, Shu-Sheng ;Ouyang, Ping-Kai
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 167 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.109 Data-to-parameter ratio = 13.7
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.003 A Ê R factor = 0.052 wR factor = 0.142 Data-to-parameter ratio = 12.5 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 = 183 K Mean '(C±C) = 0.006 A Ê R factor = 0.035 wR factor = 0.079 Data-to-parameter ratio = 14.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.