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Benzene-1,3,5-tricarboxylic acid-1,2-bis-(1,2,4-triazol-4-yl)ethane-water (4/1/2).

ABSTRACT: The title compound, 4C(9)H(6)O(6)·C(6)H(8)N(6)·2H(2)O, crystallizes in a layer structure where each sheet is composed of anellated hydrogen-bonded rings of six distinct sizes: R(2) (2)(16), R(3) (3)(18), R(4) (4)(12), R(4) (4)(18), R(4) (4)(22) and R(4) (4)(25). The two largest rings, viz. R(4) (4)(22) and R(4) (4)(25), are associated with O-H?N bonds from the carboxyl groups to the triazole rings. The typical head-to-tail carbox-yl-carboxyl R(2) (2)(8) motif is not observed.

SUBMITTER: Habib HA

PROVIDER: S-EPMC2961855 | biostudies-other | 2008 Jun

REPOSITORIES: biostudies-other

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Benzene-1,3,5-tricarboxylic acid-1,2-bis-(1,2,4-triazol-4-yl)ethane-water (4/1/2).

Habib Hesham A HA Janiak Christoph C

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, 4C(9)H(6)O(6)·C(6)H(8)N(6)·2H(2)O, crystallizes in a layer structure where each sheet is composed of anellated hydrogen-bonded rings of six distinct sizes: R(2) (2)(16), R(3) (3)(18), R(4) (4)(12), R(4) (4)(18), R(4) (4)(22) and R(4) (4)(25). The two largest rings, viz. R(4) (4)(22) and R(4) (4)(25), are associated with O-H⋯N bonds from the carboxyl groups to the triazole rings. The typical head-to-tail carbox-yl-carboxyl R(2) (2)(8) motif is not observed. ...[more]

PMID: 21202840

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