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1-Cyano-methyl-4-aza-1-azonia-bicyclo-[2.2.2]octane bromide dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(-)·2H(2)O, inter-molecular O-H?O and O-H?Br hydrogen bonding occurs. The water mol-ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol-ecules, forming 10-membered rings. The cations are connected to the anions via weak C-H?Br inter-actions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3).

SUBMITTER: Cai Y

PROVIDER: S-EPMC3006882 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-Cyano-methyl-4-aza-1-azonia-bicyclo-[2.2.2]octane bromide dihydrate.

Cai Ying Y

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

In the crystal structure of the title compound, C(8)H(14)N(3) (+)·Br(-)·2H(2)O, inter-molecular O-H⋯O and O-H⋯Br hydrogen bonding occurs. The water mol-ecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water mol-ecules, forming 10-membered rings. The cations are connected to the anions via weak C-H⋯Br inter-actions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3). ...[more]

PMID: 21587777

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