Information card for entry 7156807

Structure parameters

• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• Title of publication: Selective synthesis of (1H-benzo[d]imidazol-2-yl)(phenyl)methanone and quinoxaline from aromatic aldehyde and o-phenylenediamine.
• Authors of publication: Zhan, Zhenzhen; Ma, Haojie; Cui, Xinfeng; Jiang, Pengbo; Pu, Jinghong; Zhang, Yixin; Huang, Guosheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5148 - 5152
• a: 14.761 ± 0.003 Å
• b: 9.9736 ± 0.0008 Å
• c: 15.8257 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.9 ± 0.6 ų
• Cell temperature: 292.86 ± 0.1 K
• Ambient diffraction temperature: 292.86 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No