Information card for entry 2236874

Structure parameters

• Chemical name: 1-(1-Benzyl-1<i>H</i>-benzimidazol-2-yl)ethanone
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: n1(c2c(nc1C(=O)C)cccc2)Cc1ccccc1
• Title of publication: 1-(1-Benzyl-1<i>H</i>-benzimidazol-2-yl)ethanone
• Authors of publication: Zhang, Chuan-Jing; Xu, Xiu-Zhen; Yang, Ning; Zhao, Ren-Ying; Ge, Yan-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3340
• a: 6.1307 ± 0.001 Å
• b: 6.5226 ± 0.0012 Å
• c: 34.739 ± 0.006 Å
• α: 90.021 ± 0.003°
• β: 92.749 ± 0.003°
• γ: 110.674 ± 0.003°
• Cell volume: 1298 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes