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1-(4-Carb-oxy-phen-yl)-1H-imidazol-3-ium chloride dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(10)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, the components are linked by O-H?O, N-H?O, O-H?Cl and N-H?Cl hydrogen bonds. In the cation, the imidazole ring is oriented at a dihedral angle of 13.67?(17)° with respect to the benzene ring. In the crystal, ?-? stacking occurs between nearly parallel benzene rings, which are oriented at a dihedral angle of 3.4?(1)°, the centroid-centroid distance being 3.798?(3)?Å.

SUBMITTER: Yu ZP

PROVIDER: S-EPMC3051584 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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1-(4-Carb-oxy-phen-yl)-1H-imidazol-3-ium chloride dihydrate.

Yu Zhi-Peng ZP Geng Wen-Qian WQ Kong Lin L Zhou Hong-Ping HP

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the crystal structure of the title compound, C(10)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, the components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds. In the cation, the imidazole ring is oriented at a dihedral angle of 13.67 (17)° with respect to the benzene ring. In the crystal, π-π stacking occurs between nearly parallel benzene rings, which are oriented at a dihedral angle of 3.4 (1)°, the centroid-centroid distance being 3.798 (3) Å. ...[more]

PMID: 21523114

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