Information card for entry 8105990

Structure parameters

• Formula: C15 H12 N2
• Calculated formula: C15 H12 N2
• Title of publication: Crystal structure of 3-methyl-2-phenyl-1,8-naphthyridine, C15H12N2
• Authors of publication: Wen, Yuan; Xiao, Xin-Sheng; Jia, Guo-Kai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1231 - 1232
• a: 7.323 ± 0.004 Å
• b: 6.975 ± 0.003 Å
• c: 22.411 ± 0.011 Å
• α: 90°
• β: 93.195 ± 0.005°
• γ: 90°
• Cell volume: 1142.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1324
• 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: No