In the crystal structure of the title compound, C 12 H 13 N 3 O 2 S, weak intermolecular C-HÁ Á ÁO and N-HÁ Á ÁO hydrogenbond interactions link the molecules into a double chain along the b axis. In the title molecule, the plane of the pyrimidine ring makes an angle of 87.51 (5) with the plane of th
3-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-2,2-dimethylchroman-4-one
✍ Scribed by Zhao, Pei-Liang
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 200 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 292 K Mean (C-C) = 0.005 A R factor = 0.055 wR factor = 0.181 Data-to-parameter ratio = 15.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The title compound, C 19 H 17 N 3 O 3 S, was synthesized via the reaction of 2-(4,6-dimethoxypyrimidin-2-ylsulfanyl)benzoic acid and aniline in dichloromethane using dicyclohexylcarbodiimide as catalyst. The dihedral angles between the pyrimidine plane and the planes of the two benzene rings are 71.
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