Research Article: Isonicotinonitrile–4-methyl­benzoic acid (1/1)

Date Published: June 01, 2011

Publisher: International Union of Crystallography

Author(s): Xing-Wei Cai, Hong-Fei Lu.


The title structure, C6H4N2·C8H8O2, is built up from an assembly of isonicotinonitrile and 4-methyl­benzoic acid mol­ecules and may be regarded as a co-crystal. The two planar mol­ecules [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 inter­connected by slipped π–π stacking [centroid–centroid distance = 3.6797 (11), slippage = 1.304 Å] and inter­molecular C—H⋯N inter­actions.

Partial Text

For the structures of related derivatives, see: Fu et al. (2009 ▶); Aminabhavi et al. (1986 ▶); Dai & Fu (2008a ▶,b ▶). For the graph-set theory, see: Etter et al. (1990 ▶); Bernstein et al. (1995 ▶).




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