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

ABSTRACT: 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?? and C-H?? inter-actions present, reinforcing the three-dimensional structure.

SUBMITTER: Chouguiat L 

PROVIDER: S-EPMC4158540 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature