Information card for entry 2013552

Structure parameters

• Formula: C13 H9 Cl O2
• Calculated formula: C13 H9 Cl O2
• SMILES: Clc1ccc(O)c(c1)C(=O)c1ccccc1
• Title of publication: 5-Chloro-2-hydroxybenzophenone, featuring O—H···O, C—H···O, C—H···π and π‒π interactions
• Authors of publication: Cox, Philip J.; MacManus, Stephen M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o603 - o604
• a: 15.3857 ± 0.0003 Å
• b: 5.8668 ± 0.0001 Å
• c: 11.954 ± 0.0003 Å
• α: 90°
• β: 104.985 ± 0.002°
• γ: 90°
• Cell volume: 1042.33 ± 0.04 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes