Information card for entry 2242544

Structure parameters

• Chemical name: 2-[2-(Pyridin-3-yl)diazen-1-yl]aniline
• Formula: C11 H10 N4
• Calculated formula: C11 H10 N4
• SMILES: c1(cnccc1)/N=N/c1c(cccc1)N
• Title of publication: Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline
• Authors of publication: Peters, Morten K.; Näther, Christian; Herges, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 1013 - 1016
• a: 13.2798 ± 0.0008 Å
• b: 5.9792 ± 0.0003 Å
• c: 13.413 ± 0.0009 Å
• α: 90°
• β: 113.046 ± 0.007°
• γ: 90°
• Cell volume: 980.03 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes