Information card for entry 2241440

Structure parameters

• Chemical name: (<i>RS</i>)-(4-Chlorophenyl)(pyridin-2-yl)methanol
• Formula: C12 H10 Cl N O
• Calculated formula: C12 H10 Cl N O
• SMILES: C(O)(c1ccc(Cl)cc1)c1ncccc1
• Title of publication: Crystal structure of (<i>RS</i>)-(4-chlorophenyl)(pyridin-2-yl)methanol
• Authors of publication: Narayana, Badiadka; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 69 - 72
• a: 8.4309 ± 0.0006 Å
• b: 16.1488 ± 0.0011 Å
• c: 8.6878 ± 0.0006 Å
• α: 90°
• β: 112.994 ± 0.002°
• γ: 90°
• Cell volume: 1088.85 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes