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1,3-Bis(4-methoxy-phen-yl)imidazolidium chloride monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(17)N(2)O(2) (+)·Cl(-)·H(2)O, contains one-half of the cation, one-half of a water mol-ecule and a chloride anion. The complete cation is generated by crystallographic two-fold symmetry, with one C atom lying on the rotation axis. The O and Cl atoms have site symmetry 2. The imidazolidium ring is oriented at a dihedral angle of 4.15?(3)° with respect to the 4-methoxy-phenyl ring and an intramolecular C-H?O interaction occurs. In the crystal structure, inter-molecular O-H?Cl and C-H?Cl hydrogen bonds link the mol-ecules. There is a ?-? contact between the imidazolidium and 4-methoxy-phenyl rings [centroid-to-centroid distance = 3.625(3?Å]. There is also a C-H?? contact between the methyl group and the 4-methoxy-phenyl ring.

SUBMITTER: Wan Y

PROVIDER: S-EPMC2959710 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1,3-Bis(4-methoxy-phen-yl)imidazolidium chloride monohydrate.

Wan Yu Y Xin Haiqiang H Chen Xiumei X Xu Huahong H Wu Hui H

Acta crystallographica. Section E, Structure reports online 20081022 Pt 11

The asymmetric unit of the title compound, C(17)H(17)N(2)O(2) (+)·Cl(-)·H(2)O, contains one-half of the cation, one-half of a water mol-ecule and a chloride anion. The complete cation is generated by crystallographic two-fold symmetry, with one C atom lying on the rotation axis. The O and Cl atoms have site symmetry 2. The imidazolidium ring is oriented at a dihedral angle of 4.15 (3)° with respect to the 4-methoxy-phenyl ring and an intramolecular C-H⋯O interaction occurs. In the crystal struct ...[more]

PMID: 21581019

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