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Oxalic acid-pyridine-4-carbonitrile (1/2).

ABSTRACT: In the title compound, 2C(6)H(4)N(2)·C(2)H(2)O(4), the oxalic acid mol-ecule lies about an inversion center. The pyridine ring of the pyridine-4-carbonitrile mol-ecule is almost planar, the largest deviation from the least-squares plane being 0.006?(1)?Å; the nitrile N atom deviates from this plane by 0.114?(1)?Å. In the crystal, the oxalic acid mol-ecules and the pyridine-4-carbonitrile mol-ecules form stacks. Neighboring mol-ecules within the stacks are related by translation in the a direction, with inter-planar distances of 3.183?(1) and 3.331?(2)?Å, respectively. Each oxalic acid mol-ecule forms strong O-H?N hydrogen bonds with two mol-ecules of pyridine-4-carbonitrile. Besides this, there are also weak C-H?O inter-actions.

SUBMITTER: Zheng WN

PROVIDER: S-EPMC3379230 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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Oxalic acid-pyridine-4-carbonitrile (1/2).

Zheng Wen-Ni WN

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the title compound, 2C(6)H(4)N(2)·C(2)H(2)O(4), the oxalic acid mol-ecule lies about an inversion center. The pyridine ring of the pyridine-4-carbonitrile mol-ecule is almost planar, the largest deviation from the least-squares plane being 0.006 (1) Å; the nitrile N atom deviates from this plane by 0.114 (1) Å. In the crystal, the oxalic acid mol-ecules and the pyridine-4-carbonitrile mol-ecules form stacks. Neighboring mol-ecules within the stacks are related by translation in the a directio ...[more]

PMID: 22719428

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