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6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H?O, N-H?O and O-H?N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H?O hydrogen-bonds involving the dihydrogenphosphate groups. ?-? stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653?(3)?Å] help to consolidate the crystal packing.

SUBMITTER: Shao ZD

PROVIDER: S-EPMC3006800 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.

Shao Zhi-Dong ZD Jiang Xiao X Lan Shao-Min SM Di Wen-Jing WJ Liang Yun-Xiao YX

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H⋯O, N-H⋯O and O-H⋯N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H⋯O hydrogen-bonds involving the dihydrogenphosphate groups. π-π stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653 (3) Å] help to consolidate th ...[more]

PMID: 21587973

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