Information card for entry 2221558

Structure parameters

• Chemical name: <i>N</i>-(Pyrimidin-2-yl)aniline
• Formula: C10 H9 N3
• Calculated formula: C10 H9 N3
• SMILES: c1ccc(cc1)Nc1ncccn1
• Title of publication: <i>N</i>-(Pyrimidin-2-yl)aniline
• Authors of publication: Badaruddin, Edura; Shah Bakhtiar, Nasir; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o703
• a: 8.8792 ± 0.0002 Å
• b: 9.9382 ± 0.0002 Å
• c: 10.2038 ± 0.0002 Å
• α: 93.186 ± 0.001°
• β: 103.665 ± 0.001°
• γ: 97.78 ± 0.001°
• Cell volume: 863.28 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes