Information card for entry 2232591

Structure parameters

• Chemical name: 5-Chloro-2-(phenyldiazenyl)pyridine
• Formula: C11 H8 Cl N3
• Calculated formula: C11 H8 Cl N3
• SMILES: Clc1cnc(cc1)N=Nc1ccccc1
• Title of publication: 5-Chloro-2-(phenyldiazenyl)pyridine
• Authors of publication: Thies, Steffen; Näther, Christian; Herges, Rainer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3298
• a: 6.1136 ± 0.0002 Å
• b: 9.094 ± 0.0004 Å
• c: 18.6839 ± 0.0008 Å
• α: 90°
• β: 91.459 ± 0.003°
• γ: 90°
• Cell volume: 1038.43 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes