2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis

2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis

In the title compound, C22H22ClN3O4S, which has potential non-steroidal anti-inflammatory activity, the benzothiazine and cyclohexenone rings both adopt a distorted sofa conformation while the 4H-pyrane ring adopts a very flattened sofa conformation. The two bicyclic fragments are skewed to each oth...

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Bibliographic Details
Main Authors: Mariia O. Shyshkina, Dmitry A. Lega, Volodymyr D. Goryachiy, Ludmila M. Shemchuk, Dmitriy V. Levashov, Leonid A. Shemchuk
Format: Article
Language:English
Published: International Union of Crystallography 2021-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
1h-benzo[c][1,2]thiazine
2,2-dioxide
4h-pyran
multicomponent reaction
molecular structure
crystal structure
hirshfeld surface analysis
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021002085

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http://scripts.iucr.org/cgi-bin/paper?S2056989021002085

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