Information card for entry 2220649

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(pyrazin-2-yl)aniline
• Formula: C10 H8 Cl N3
• Calculated formula: C10 H8 Cl N3
• SMILES: Clc1ccc(Nc2nccnc2)cc1
• Title of publication: 4-Chloro-<i>N</i>-(pyrazin-2-yl)aniline
• Authors of publication: Wan Saffiee, Wan Ainna Mardhiah; Idris, Azila; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o113
• a: 12.1257 ± 0.0003 Å
• b: 3.7944 ± 0.0001 Å
• c: 19.7242 ± 0.0005 Å
• α: 90°
• β: 91.37 ± 0.002°
• γ: 90°
• Cell volume: 907.25 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes