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Isonicotinonitrile-benzoic acid (1/1).

ABSTRACT: In the title 1:1 adduct, C(6)H(4)N(2)·C(7)H(6)O(2), the carboxyl group and its attached phenyl ring are essentially coplanar, being twisted from each other by a dihedral angle of only 2.05?(3)°. In the crystal, the mol-ecules are connected via O-H?N and C-H?O hydrogen bonds, building an R(2) (2)(7) ring. Mol-ecules are further linked through ?-? inter-actions [centroid-centroid distance of 3.8431?(8) and 3.9094?(8)?Å], leading to a one-dimensional chain parallel to the b axis.

SUBMITTER: Cui LJ

PROVIDER: S-EPMC2983705 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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Isonicotinonitrile-benzoic acid (1/1).

Cui Li-Jing LJ Chen Xin-Yuan XY

Acta crystallographica. Section E, Structure reports online 20100227 Pt 3

In the title 1:1 adduct, C(6)H(4)N(2)·C(7)H(6)O(2), the carboxyl group and its attached phenyl ring are essentially coplanar, being twisted from each other by a dihedral angle of only 2.05 (3)°. In the crystal, the mol-ecules are connected via O-H⋯N and C-H⋯O hydrogen bonds, building an R(2) (2)(7) ring. Mol-ecules are further linked through π-π inter-actions [centroid-centroid distance of 3.8431 (8) and 3.9094 (8) Å], leading to a one-dimensional chain parallel to the b axis. ...[more]

PMID: 21580458

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