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1-Benzyl-3-methyl-imidazolium chloride 0.25-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(13)N(2) (+)·Cl(-), contains two independent ion pairs and and half a solvent water mol-ecule (m site symmetry for the O atom). The imidazole ring is oriented at dihedral angles of 66.61?(3) and 89.17?(3)° with respect to the aromatic ring in the two cations. In the crystal, O-H?(O,Cl) hydrogen bonds and ?-? stacking inter-actions between the imidazole ring of one mol-ecule and the aromatic ring of another [perpendicular distance = 3.4?(4)?Å] link the mol-ecules.

SUBMITTER: Ji X

PROVIDER: S-EPMC2980248 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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1-Benzyl-3-methyl-imidazolium chloride 0.25-hydrate.

Ji Xiujie X Cheng Bowen B Song Jun J Liu Chao C

Acta crystallographica. Section E, Structure reports online 20091219 Pt 1

The asymmetric unit of the title compound, C(11)H(13)N(2) (+)·Cl(-), contains two independent ion pairs and and half a solvent water mol-ecule (m site symmetry for the O atom). The imidazole ring is oriented at dihedral angles of 66.61 (3) and 89.17 (3)° with respect to the aromatic ring in the two cations. In the crystal, O-H⋯(O,Cl) hydrogen bonds and π-π stacking inter-actions between the imidazole ring of one mol-ecule and the aromatic ring of another [perpendicular distance = 3.4 (4) Å] link ...[more]

PMID: 21580102

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