Information card for entry 2224007

Structure parameters

• Chemical name: 4,6-Dimethyl-2-<i>p</i>-tolylpyrimidine
• Formula: C13 H14 N2
• Calculated formula: C13 H14 N2
• Title of publication: 4,6-Dimethyl-2-<i>p</i>-tolylpyrimidine
• Authors of publication: Xu, Chen; Wang, Zhi-Qiang; Cen, Fei-Fei; Cheng, Lin; Ji, Bao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2785
• a: 7.2086 ± 0.001 Å
• b: 12.4668 ± 0.0018 Å
• c: 12.4335 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1117.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes