Isonicotinonitrile-4-methyl-benzoic acid (1/1).

ABSTRACT: The title structure, C(6)H(4)N(2)·C(8)H(8)O(2), is built up from an assembly of isonicotinonitrile and 4-methyl-benzoic acid mol-ecules and may be regarded as a co-crystal. The two planar mol-ecules [r.m.s. deviations of 0.002 (6) and 0.0028 (11) Å, respectively] are linked by O-H⋯N and C-H⋯O hydrogen bonds. They are nearly coplanar and only twisted from each other by a dihedral angle of 2.48 (6)°. In the crystal, the components are inter-connected by slipped π-π stacking [centroid-centroid distance = 3.6797 (11), slippage = 1.304 Å] and inter-molecular C-H⋯N inter-actions.

SUBMITTER: Cai XW 

PROVIDER: S-EPMC3120448 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature