Ontology highlight
ABSTRACT:
SUBMITTER: Wang Y
PROVIDER: S-EPMC3011760 | biostudies-literature | 2010 Nov
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20101124 Pt 12
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 s ...[more]