Information card for entry 2231144

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline monohydrate
• Formula: C25 H17 F N4 O
• Calculated formula: C25 H17 F N4 O
• SMILES: Fc1ccc(c2n(c3c(n2)c2c(nccc2)c2ncccc32)c2ccccc2)cc1.O
• Title of publication: 2-(4-Fluorophenyl)-1-phenyl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline monohydrate
• Authors of publication: Rosepriya, S.; Venkatesh Perumal, M.; Thiruvalluvar, A.; Jayabharathi, J.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1965
• a: 9.0103 ± 0.001 Å
• b: 10.0946 ± 0.0009 Å
• c: 11.3994 ± 0.0009 Å
• α: 86.987 ± 0.007°
• β: 75.95 ± 0.008°
• γ: 82.396 ± 0.008°
• Cell volume: 996.75 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes