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2-(Furan-2-yl)-1,3-bis(furan-2-ylmeth-yl)-1H-benzimidazol-3-ium chloride monohydrate.

ABSTRACT: The title hydrated salt, C(21)H(17)N(2)O(3) (+)·Cl(-)·H(2)O, exhibits disorder in one of the furan rings. The major and minor components have a refined occupancy ratio of 0.844?(19):0.156?(19). The structure displays intermolecular hydrogen bonding involving the water molecule and the chloride anion. Close intermolecular C-H?Cl and C-H?(furan ring) inter-actions complete the hydrogen bonding.

SUBMITTER: Geiger DK

PROVIDER: S-EPMC3470365 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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2-(Furan-2-yl)-1,3-bis(furan-2-ylmeth-yl)-1H-benzimidazol-3-ium chloride monohydrate.

Geiger David K DK Geiger H Cristina HC Deck Jared M JM

Acta crystallographica. Section E, Structure reports online 20120926 Pt 10

The title hydrated salt, C(21)H(17)N(2)O(3) (+)·Cl(-)·H(2)O, exhibits disorder in one of the furan rings. The major and minor components have a refined occupancy ratio of 0.844 (19):0.156 (19). The structure displays intermolecular hydrogen bonding involving the water molecule and the chloride anion. Close intermolecular C-H⋯Cl and C-H⋯(furan ring) inter-actions complete the hydrogen bonding. ...[more]

PMID: 23125778

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