2-{[(Dimethyl-amino)-methyl-idene]amino}-5-nitro-benzonitrile.

ABSTRACT: The title mol-ecule, C10H10N4O2, is almost planar and adopts an E configuration of the azomethine [C=N = 1.298?(2)?Å] double bond. The benzene ring is attached to an essentially planar (r.m.s. deviation = 0.0226?Å) amidine moiety (N=CN/Me2), the dihedral angle between the two mean planes being 18.42?(11)°. The cyano group lies in the plane of the benzene ring [the C and N atoms deviating by 0.030?(3) and 0.040?(3)?Å, respectively], while the nitro group makes a dihedral angle 5.8?(3)° with the benzene ring. There are two distinct inter-molecular hydrogen bonds, C-H?O and C-H?N, that stabilize the crystal structure; the former inter-actions result in centrosymmetric dimers about inversion centers resulting in ten-membered rings, while the later give rise to chains of mol-ecules running parallel to the b axis.

SUBMITTER: Saad SM 

PROVIDER: S-EPMC3588379 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature