1-Benzoyl-6-methyl-3-methylsulfanyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazol-4-one
✍ Scribed by Hao, Jing-Jun ;Gao, Feng ;Wang, You-Ming ;Li, Zheng-Ming
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 83 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound was synthesized by adding benzohydrazide (0.136 g, 1 mmol) to an absolute ethanol solution (30 ml) containing 3-[bis(methylsulfanyl)methylene]dihydro-6-methyl-3H-pyran-2,4-dione (0.232 g, 1 mmol). The mixture was stirred for 5.5 h at room temperature. The product was obtained by silica-gel column chromatography using a 1:5 mixture of ethyl acetate and petroleum ether as eluant. Colourless single crystals suitable for X-ray diffraction
📜 SIMILAR VOLUMES
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.
In the title compound, C 13 H 11 N 5 OS 2 , the dihedral angle between the planes of the phenyl and pyrazole rings is 25.62 (2) . The crystal packing is stablized by intra-and intermolecular hydrogen bonds which link the molecules into a three-dimensional network.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê R factor = 0.063 wR factor = 0.199 Data-to-parameter ratio = 14.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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.