Synthesis of 6-(5-sulfanyl-1H-tetrazol-1-yl)-2H-chromen-2-one and 5-methyl-1-(2-oxo-2H-chromen-6-yl)-1H-1,2,3-triazole-4-carboxylic acid
✍ Scribed by N. T. Pokhodylo; N. D. Obushak
- Book ID
- 111465561
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2010
- Tongue
- English
- Weight
- 144 KB
- Volume
- 46
- Category
- Article
- ISSN
- 1070-4280
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.045 wR factor = 0.099 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 10 H 9 N 3 O 2 S, crystallizes in the orthorhombic non-centrosymmetric space group P2 1 2 1 2 1 . The molecules are linked into a three-dimensional network through OÐHÁ Á ÁN and NÐHÁ Á ÁO hydrogen bonds and weak SÁ Á ÁO interactions.
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 9 H 12 N 6 OS, the pyrazole and triazole rings are nearly coplanar, forming a dihedral angle of 6.50 (9) . There are N-HÁ Á ÁN intermolecular hydrogen-bond interactions in the crystal structure, providing stabilization.