4-Anilino-3-nitro-benzonitrile.

ABSTRACT: In the title compound, C(13)H(9)N(3)O(2), the aromatic rings are twisted with respect to each other, making a dihedral angle of 49.41 (9)°. The nitro group and the nitrile group are nearly in the plane of the benzonitrile ring, the largest deviation from the plane being 0.123 (1) Å. There is an intra-molecular N-H⋯O hydrogen bond forming an S(6) ring. Weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a chain parallel to the c axis. Futhermore, slipped π-π inter-actions between symmetry-related phenyl rings [centroid-centroid distance 3.808 (1) Å, inter-planar distance 3.544 (8) Å with an offset of 21.5°] stabilize the structure.

SUBMITTER: Wang Y 

PROVIDER: S-EPMC3011760 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature