Crystal structure of 3-amino-9-methoxy-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, C21H16N2O2

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3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile

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The title compound, C16H16N4O2, crystallizes with two mol-ecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7 (2) and -36.9 (2)...

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In the title compound, C12H12N6S, the dihedral angles between the central pyrazole ring and the pendant triazole and benzene rings are 68.01 (4) and 59.83 (9)°, respectively. In the crystal, mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds, generating (10-1) sheets.

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2016

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2016-0128