Information card for entry 8105819

Structure parameters

• Formula: C25 H24 N2 O
• Calculated formula: C25 H24 N2 O
• SMILES: OC.n1c2ccccc2n(c1/C=C\c1ccccc1)C/C=C/c1ccccc1
• Title of publication: Crystal structure 1-cinnamyl-2-((Z)-styryl)-1H-benzo[d]imidazole — methanol (1/1), C24H20N2 ⋅ CH4O
• Authors of publication: Tan, Hong-Bo; Huang, Zheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 683 - 684
• a: 12.764 ± 0.003 Å
• b: 8.744 ± 0.002 Å
• c: 18.733 ± 0.005 Å
• α: 90°
• β: 93.944 ± 0.005°
• γ: 90°
• Cell volume: 2085.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No