Information card for entry 2007682

Structure parameters

• Chemical name: 2-Chloro-3-cyano-6-phenylpyridine
• Formula: C12 H7 Cl N2
• Calculated formula: C12 H7 Cl N2
• SMILES: n1c(Cl)c(C#N)ccc1c1ccccc1
• Title of publication: 2-Chloro-3-cyano-6-phenylpyridine
• Authors of publication: Cyrañski, Michal K.; Mieczkowski, Jȯzef
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1521 - 1523
• a: 6.585 ± 0.001 Å
• b: 11.066 ± 0.002 Å
• c: 14.207 ± 0.003 Å
• α: 90°
• β: 101.45 ± 0.03°
• γ: 90°
• Cell volume: 1014.7 ± 0.3 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: 0.064
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.163
• Weighted residual factors for significantly intense reflections: 0.132
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No