Information card for entry 2227215

Structure parameters

• Chemical name: <i>N</i>-(3-Methylphenyl)pyrimidin-2-amine
• Formula: C11 H11 N3
• Calculated formula: C11 H11 N3
• SMILES: Cc1cccc(c1)Nc1ncccn1
• Title of publication: <i>N</i>-(3-Methylphenyl)pyrimidin-2-amine
• Authors of publication: Badaruddin, Edura; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2446
• a: 9.4461 ± 0.001 Å
• b: 10.0946 ± 0.0011 Å
• c: 11.6266 ± 0.0013 Å
• α: 80.401 ± 0.001°
• β: 82.745 ± 0.002°
• γ: 66.005 ± 0.001°
• Cell volume: 996.55 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.085
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes