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Pyridine-3-carbonitrile-chloranilic acid-acetonitrile (2/1/2).

ABSTRACT: In the crystal structure of the title compound, 2C(6)H(4)N(2)·C(6)H(2)Cl(2)O(4)·2C(2)H(3)N, the two symmetry-related pyridine-3-carbonitrile mol-ecules are linked to either side of a chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydr-oxy-1,4-benzoquinone) mol-ecule via inter-molecular O-H?N hydrogen bonds, giving a centrosymmetric 2:1 unit. The dihedral angle between the pyridine ring and the chloranilic acid plane is 26.71?(6)°. In addition, the two acetonitrile mol-ecules are linked to either side of the 2:1 unit through C-H?N hydrogen bonds, forming a 2:1:2 aggregate. These 2:1:2 aggregates are further linked by weak inter-molecular C-H?N and C-H?O hydrogen bonds, forming a tape along the c axis.

SUBMITTER: Gotoh K

PROVIDER: S-EPMC2970440 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Pyridine-3-carbonitrile-chloranilic acid-acetonitrile (2/1/2).

Gotoh Kazuma K Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20090916 Pt 10

In the crystal structure of the title compound, 2C(6)H(4)N(2)·C(6)H(2)Cl(2)O(4)·2C(2)H(3)N, the two symmetry-related pyridine-3-carbonitrile mol-ecules are linked to either side of a chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydr-oxy-1,4-benzoquinone) mol-ecule via inter-molecular O-H⋯N hydrogen bonds, giving a centrosymmetric 2:1 unit. The dihedral angle between the pyridine ring and the chloranilic acid plane is 26.71 (6)°. In addition, the two acetonitrile mol-ecules are linked to ...[more]

PMID: 21577921

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