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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, C9H7N3·C9H6O6, the pyridine ring is oriented at 33.26 (11)° 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)° relative to the benzene ring. Classical O—H⋯N and O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯N hydrogen bonds occur in the crystal structure.

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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.
    Acta Crystallographica Section E Structure Reports Online 04/2012; 68(Pt 4):o1201. · 0.35 Impact Factor

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