Information card for entry 2219963

Structure parameters

• Chemical name: N-(pyrazin-2-yl)aniline
• Formula: C10 H9 N3
• Calculated formula: C10 H9 N3
• SMILES: N(c1ccccc1)c1nccnc1
• Title of publication: A second monoclinic polymorph of <i>N</i>-(pyrazin-2-yl)aniline
• Authors of publication: Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2106
• a: 8.2194 ± 0.0003 Å
• b: 8.8851 ± 0.0003 Å
• c: 11.8395 ± 0.0004 Å
• α: 90°
• β: 104.643 ± 0.002°
• γ: 90°
• Cell volume: 836.56 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0659
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes