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2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46?(7) and 60.98?(6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85?(7) and 62.78?(7)°, respectively. The dihedral angle between the two benzene rings is 64.98?(7)° in mol-ecule A and 65.53?(7)° in mol-ecule B. In the crystal, the two independent mol-ecules are linked by O-H?N and O-H?O hydrogen bonds, forming chains propagating along [100]. These chains are linked via C-H?F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

SUBMITTER: Srinivasan N 

PROVIDER: S-EPMC3884277 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

Srinivasan Natesan N   Rizwana Begum Syed Rafee Ahamed SR   Hema Ramu R   Sridhar Balasubramanian B   Anitha Azhagan Ganapathi AG  

Acta crystallographica. Section E, Structure reports online 20131002 Pt 11

The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46 (7) and 60.98 (6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85 (7) and 62.78 (7)°, respectively. The dihedral angle between the two benzene rings is 64.98 (7)° in mol-ecule A and 65.53 (7)° in mol  ...[more]

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