Information card for entry 8101579

Structure parameters

• Formula: C15 H12 Cl2 O2
• Calculated formula: C15 H12 Cl2 O2
• SMILES: Clc1c(C(O)C(=O)c2c(C)cccc2)c(Cl)ccc1
• Title of publication: Crystal structure of 1-(2',6'-dichlorophenyl)-1-hydroxy-2-o-toluyl- ethane-2-one, C~15~H~12~Cl~2~O~2~
• Authors of publication: Kakou-Yao, R.; Degny, E.; Ebby, N.; Aycard, J. P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 485 - 486
• a: 7.534 ± 0.001 Å
• b: 16.23 ± 0.001 Å
• c: 11.911 ± 0.001 Å
• α: 90 ± 0.001°
• β: 108.382 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 1382.1 ± 0.4 ų
• Cell temperature: 298 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: 0.058
• Weighted residual factors for significantly intense reflections: 0.108
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No