Information card for entry 8103135

Structure parameters

• Formula: C16 H14 N2
• Calculated formula: C16 H14 N2
• Title of publication: Crystal structure of 2-(2-naphthyl)-4,6-dimethylpyrimidine, C16H14N2
• Authors of publication: Li-Ming Qiang; Jun-Ling Si; Xin-Ming Dong; Xin-Qi Hao; Kui Lu; Yu-Fen Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 333
• a: 8.3871 ± 0.0014 Å
• b: 17.453 ± 0.003 Å
• c: 8.6943 ± 0.0014 Å
• α: 90°
• β: 93.092 ± 0.002°
• γ: 90°
• Cell volume: 1270.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No