Information card for entry 2103242

Structure parameters

• Common name: 4-chloro-2'-hydroxybiphenyl
• Chemical name: 4-chloro-2'-biphenylol
• Formula: C12 H9 Cl O
• Calculated formula: C12 H9 Cl O
• SMILES: Clc1ccc(cc1)c1c(O)cccc1
• Title of publication: Z' = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds
• Authors of publication: Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: 140 - 147
• a: 17.211 ± 0.003 Å
• b: 11.962 ± 0.002 Å
• c: 19.621 ± 0.003 Å
• α: 90°
• β: 95.95 ± 0.02°
• γ: 90°
• Cell volume: 4017.8 ± 1.2 ų
• Cell temperature: 142 ± 1 K
• Ambient diffraction temperature: 142 ± 1 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: 0.097
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes