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1-Cyano-methyl-4-aza-1-azoniabicyclo-[2.2.2]octane tetra-fluoro-borate monohydrate.

ABSTRACT: In the title compound, C(8)H(14)N(3) (+)·BF(4) (-)·H(2)O, the cation, anion and water molecule all lie on mirror planes. The BF(4) (-) anion is disordered over two orientations with occupancies refined to 0.57?(2) and 0.43?(2). The water mol-ecule is linked to the cation via an O-H?N hydrogen bond. Weak inter-molecular O-H?F, C-H?O and C-H?F hydrogen bonds consolidate the crystal packing.

SUBMITTER: Cai Y

PROVIDER: S-EPMC2979539 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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1-Cyano-methyl-4-aza-1-azoniabicyclo-[2.2.2]octane tetra-fluoro-borate monohydrate.

Cai Ying Y

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

In the title compound, C(8)H(14)N(3) (+)·BF(4) (-)·H(2)O, the cation, anion and water molecule all lie on mirror planes. The BF(4) (-) anion is disordered over two orientations with occupancies refined to 0.57 (2) and 0.43 (2). The water mol-ecule is linked to the cation via an O-H⋯N hydrogen bond. Weak inter-molecular O-H⋯F, C-H⋯O and C-H⋯F hydrogen bonds consolidate the crystal packing. ...[more]

PMID: 21579492

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