Information card for entry 2215900

Structure parameters

• Chemical name: 2-(2-Chlorophenyl)-7-methyl-4<i>H</i>-chromen-4-one
• Formula: C16 H11 Cl O2
• Calculated formula: C16 H11 Cl O2
• SMILES: Clc1c(c2oc3c(c(=O)c2)ccc(c3)C)cccc1
• Title of publication: 2-(2-Chlorophenyl)-7-methyl-4<i>H</i>-chromen-4-one
• Authors of publication: Xiao-Bing Wang; Ling-Yi Kong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4340 - o4340
• a: 7.8394 ± 0.001 Å
• b: 22.936 ± 0.003 Å
• c: 7.879 ± 0.0009 Å
• α: 90°
• β: 116.462 ± 0.002°
• γ: 90°
• Cell volume: 1268.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes