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4,4'-(1,3,4-Oxadiazole-2,5-diyl)di-pyri-dinium dibromide monohydrate.

ABSTRACT: In the title compound, C(12)H(10)N(4)O(+)·2Br(-)·H(2)O, the cation is approximately planar: the terminal rings make a dihedral angle of 7.91?(6)° with each other and dihedral angles of 6.02?(1) and 6.50?(8)° with the central ring. It is linked to the bromide anions and water mol-ecules by N-H?Br hydrogen bonds. In addition, O-H?Br and N-H?Br hydrogen bonds link these units into a three-dimensional network. C-H?N, C-H?Br and N-H?O inter-actions are also observed.

SUBMITTER: Han MT

PROVIDER: S-EPMC3011558 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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4,4'-(1,3,4-Oxadiazole-2,5-diyl)di-pyri-dinium dibromide monohydrate.

Han Meng Ting MT Zhang Yuan Y

Acta crystallographica. Section E, Structure reports online 20101117 Pt 12

In the title compound, C(12)H(10)N(4)O(+)·2Br(-)·H(2)O, the cation is approximately planar: the terminal rings make a dihedral angle of 7.91 (6)° with each other and dihedral angles of 6.02 (1) and 6.50 (8)° with the central ring. It is linked to the bromide anions and water mol-ecules by N-H⋯Br hydrogen bonds. In addition, O-H⋯Br and N-H⋯Br hydrogen bonds link these units into a three-dimensional network. C-H⋯N, C-H⋯Br and N-H⋯O inter-actions are also observed. ...[more]

PMID: 21589505

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