Information card for entry 2238794

Structure parameters

• Chemical name: 2-(2,4-Difluorophenyl)-4,5-dimethyl-1-(4-methylphenyl)-1<i>H</i>-imidazole monohydrate
• Formula: C18 H18 F2 N2 O
• Calculated formula: C18 H18 F2 N2 O
• SMILES: Cc1ccc(cc1)n1c(C)c(nc1c1ccc(cc1F)F)C.O
• Title of publication: 2-(2,4-Difluorophenyl)-4,5-dimethyl-1-(4-methylphenyl)-1<i>H</i>-imidazole monohydrate
• Authors of publication: Srinivasan, Natesan; Rizwana Begum, Syed Rafee Ahamed; Hema, Ramu; Sridhar, Balasubramanian; Anitha, Azhagan Ganapathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1599 - o1600
• a: 7.9424 ± 0.0009 Å
• b: 14.5238 ± 0.0016 Å
• c: 14.6561 ± 0.0016 Å
• α: 75.087 ± 0.002°
• β: 89.99 ± 0.002°
• γ: 86.012 ± 0.002°
• Cell volume: 1629.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No