Article

Benzene-1,3,5-tricarboxylic acid-5-(4-pyridyl)pyrimidine (1/1)

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 12/2011; 68(1). DOI: 10.1107/S1600536811051075

ABSTRACT

In the pyrimidine molecule of the title compound, C(9)H(7)N(3)-C(9)H(6)O(6), the pyridine ring is oriented at 33.26 (11)degrees with respect to the pyrimidine ring. In the benzene-1,3,5-tricarboxylic acid molecule, the three carboxy groups are twisted by 7.92 (9), 8.68 (10) and 17.07 (10)degrees relative to the benzene ring. Classical O-H center dot center dot center dot N and O-H center dot center dot center dot O hydrogen bonds and weak C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds occur in the crystal structure.

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Available from: Gui-Ge Hou, Dec 30, 2014
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    ABSTRACT: The title cocrystal, C(10)H(8)N(2)·C(6)H(6)O(4), crystallizes with half-mol-ecules of 4,4'-bipyridine and trans,trans-hexa-2,4-dienedioic acid in the asymmetric unit, as each is located about a crystallographic inversion center. The bipyridine molecule is planar from symmetry. In the dicarboxylic acid molecule, the O-C-C-C torsion angle is -13.0 (2)°. In the crystal, O-H⋯N and C-H⋯O hydrogen bonds generate a three-dimensional network.
    Full-text · Article · Apr 2012 · Acta Crystallographica Section E Structure Reports Online