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Bis(1H-benzimidazol-1-yl)methane monohydrate.

ABSTRACT: In the title compound, C(15)H(12)N(4)·H(2)O, the organic mol-ecule displays approximate non-crystallographic twofold symmetry: the dihedral angle between the benzimidazole ring systems is 81.37?(12)°. In the crystal, the components are linked by O-H?N hydrogen bonds, forming chains propagating in [101]. Aromatic ?-? stacking [centroid-centroid separation = 3.595?(2)?Å] helps to consolidate the structure.

SUBMITTER: Shi T

PROVIDER: S-EPMC3247354 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Bis(1H-benzimidazol-1-yl)methane monohydrate.

Shi Tao T Jin Shouwen S Zhu Jianlong J Liu Yingjia Y Shi Chuanchuan C

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

In the title compound, C(15)H(12)N(4)·H(2)O, the organic mol-ecule displays approximate non-crystallographic twofold symmetry: the dihedral angle between the benzimidazole ring systems is 81.37 (12)°. In the crystal, the components are linked by O-H⋯N hydrogen bonds, forming chains propagating in [101]. Aromatic π-π stacking [centroid-centroid separation = 3.595 (2) Å] helps to consolidate the structure. ...[more]

PMID: 22219972

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