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4-(1H-Pyrazol-3-yl)pyridine-terephthalic acid-water (2/1/2).

ABSTRACT: In the title compound, 2C(8)H(7)N(3)·C(8)H(6)O(4)·2H(2)O, the pyridine and pyrazole rings are approximately coplanar, the dihedral angle between them being 4.69?(9)°. The asymmetric unit consists of half of the terephthalic acid (an inversion centre generates the other half of the mol-ecule), one 4-(1H-pyrazol-3-yl)pyridine (4pp) mol-ecule and one water mol-ecule. In the crystal, two 4pp and one terephthalic acid mol-ecules form a linear three-molecule unit as a result of O-H?N hydrogen bonds. These units are further assembled into a three-dimensional network by two types of hydrogen bonds, viz. O-H?O and N-H?O.

SUBMITTER: Tan ZD 

PROVIDER: S-EPMC3379495 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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4-(1H-Pyrazol-3-yl)pyridine-terephthalic acid-water (2/1/2).

Tan Zheng-De ZD   Tan Feng-Jiao FJ   Tan Bo B   Zhang Cheng-Ming CM  

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title compound, 2C(8)H(7)N(3)·C(8)H(6)O(4)·2H(2)O, the pyridine and pyrazole rings are approximately coplanar, the dihedral angle between them being 4.69 (9)°. The asymmetric unit consists of half of the terephthalic acid (an inversion centre generates the other half of the mol-ecule), one 4-(1H-pyrazol-3-yl)pyridine (4pp) mol-ecule and one water mol-ecule. In the crystal, two 4pp and one terephthalic acid mol-ecules form a linear three-molecule unit as a result of O-H⋯N hydrogen bonds. T  ...[more]

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