Information card for entry 2238384

Structure parameters

• Chemical name: 2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole
• Formula: C20 H18 N2 P
• Calculated formula: C20 H18 N2 P
• SMILES: P(c1nc2c(n1C)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: 2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole
• Authors of publication: Jenkins, Darkus E.; Assefa, Zerihun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1364
• a: 9.574 ± 0.002 Å
• b: 9.904 ± 0.003 Å
• c: 10.513 ± 0.003 Å
• α: 74.215 ± 0.007°
• β: 67.172 ± 0.007°
• γ: 70.346 ± 0.007°
• Cell volume: 853.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes