4-(2-Nitro-benz-yl)-3-phenyl-3,4-di-hydro-2H-1,4-benzoxazin-2-ol.

Acta Crystallogr Sect E Struct Rep Online

Laboratoire de Synthèse des Molécules d'Intérêts Biologiques, Département de Chimie, Faculté des Sciences Exactes, Université de Constantine 1, 25000 Constantine, Algeria.

Published: August 2014

The title compound, C21H18N2O4, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules the oxazine ring has an envelope conformation with the hydroxyl-substituted C atom as the flap. The nitro-benzyl ring and the phenyl ring are almost normal to the mean plane of the benzooxazine ring system with dihdral angles of 85.72 (15) and 82.69 (15)°, respectively, in mol-ecule A, and 85.79 (15) and 87.72 (15)°, respectively, in mol-ecule B. The main difference in the conformation of the two mol-ecules concerns the dihedral angle between the nitro-benzyl ring and the phenyl ring, viz. 79.67 (18) in mol-ecule A and 71.13 (18)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked by an O-H⋯O hydrogen bond. These units are then linked via C-H⋯O hydrogen bonds, forming sheets lying parallel to (010). Further C-H⋯O hydrogen bonds link the sheets to form a three-dimensional network. There are also O-H⋯π and C-H⋯π inter-actions present, reinforcing the three-dimensional structure.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158540PMC
http://dx.doi.org/10.1107/S1600536814015645DOI Listing

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