Information card for entry 8105381

Structure parameters

• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• Title of publication: Crystal structure of 2-methyl-1H-perimidine, C12H10N2
• Authors of publication: Shi, Xiao-Ming; Xiao, Li-Na; Peng, Peng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1069 - 1071
• a: 9.0431 ± 0.0018 Å
• b: 9.977 ± 0.0019 Å
• c: 11.623 ± 0.002 Å
• α: 102.375 ± 0.003°
• β: 109.641 ± 0.003°
• γ: 99.834 ± 0.002°
• Cell volume: 930.5 ± 0.3 ų
• Cell temperature: 128.15 K
• Ambient diffraction temperature: 128.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No