Information card for entry 7208851

Structure parameters

• Formula: C10 H10 N2
• Calculated formula: C10 H10 N2
• SMILES: [nH]1c2c(nc1C1CC1)cccc2
• Title of publication: Catalyst free approach to benzimidazoles using air as the oxidant at room temperature
• Authors of publication: Zhang, Chun; Zhang, Liangren; Jiao, Ning
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3273
• a: 8.5482 ± 0.001 Å
• b: 10.7471 ± 0.0012 Å
• c: 9.6662 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 888.02 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No