Information card for entry 2227961

Structure parameters

• Common name: bifonazole
• Chemical name: 1-[(Biphenyl-4-yl)(phenyl)methyl]-1<i>H</i>-imidazole
• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: n1(C(c2ccccc2)c2ccc(cc2)c2ccccc2)cncc1
• Title of publication: 1-[(Biphenyl-4-yl)(phenyl)methyl]-1<i>H</i>-imidazole (bifonazole)
• Authors of publication: Van Eerdenbrugh, Bernard; Fanwick, Phillip E.; Taylor, Lynne S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2649
• a: 7.9737 ± 0.0007 Å
• b: 6.2591 ± 0.0006 Å
• c: 33.265 ± 0.003 Å
• α: 90°
• β: 93.805 ± 0.008°
• γ: 90°
• Cell volume: 1656.5 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes