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1,3-Bis(4-bromo-phen-yl)imidazolium chloride dihydrate.

ABSTRACT: In the title hydrated salt, C(15)H(11)Br(2)N(2) (+)·Cl(-)·2H(2)O, the complete imidazolium cation is generated by a crystallographic twofold axis, with one C atom lying on the axis. The chloride ion and both water mol-ecules of crystallization also lie on a crystallographic twofold axis of symmetry. The cation is non-planar, the dihedral angle formed between the central imidazolium and benzene rings being 12.9?(3)°; the dihedral angle between the symmetry-related benzene rings is 25.60?(13)°. In the crystal, O-H?Cl hydrogen bonds result in supra-molecular chains along c mediated by eight-membered {?HOH?Cl}(2) synthons. These are consolidated by C-H?O and ?-? [centroid-centroid distance = 3.687?(3)?Å] inter-actions.

SUBMITTER: Garden SJ

PROVIDER: S-EPMC2979370 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1,3-Bis(4-bromo-phen-yl)imidazolium chloride dihydrate.

Garden Simon J SJ Gama Paola E PE Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM Howie R Alan RA

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

In the title hydrated salt, C(15)H(11)Br(2)N(2) (+)·Cl(-)·2H(2)O, the complete imidazolium cation is generated by a crystallographic twofold axis, with one C atom lying on the axis. The chloride ion and both water mol-ecules of crystallization also lie on a crystallographic twofold axis of symmetry. The cation is non-planar, the dihedral angle formed between the central imidazolium and benzene rings being 12.9 (3)°; the dihedral angle between the symmetry-related benzene rings is 25.60 (13)°. In ...[more]

PMID: 21579512

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