Information card for entry 2311195

Structure parameters

• Chemical name: 4-Chloro-2-(2-chlorobenzoyl)phenol
• Formula: C13 H8 Cl2 O2
• Calculated formula: C13 H8 Cl2 O2
• SMILES: Clc1ccccc1C(=O)c1c(O)ccc(Cl)c1
• Title of publication: 4-Chloro-2-(2-chloro-benzoyl)phenol.
• Authors of publication: Bushra Begum, A.; Madan Kumar, S.; Manjunath, B. C.; Khanum, Shaukath Ara; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 10
• Pages of publication: o1568
• a: 16.0231 ± 0.0004 Å
• b: 7.4216 ± 0.0002 Å
• c: 19.6843 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.8 ± 0.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No