Information card for entry 2214123

Structure parameters

• Common name: 4-(Chloromethyl)benzophenone
• Chemical name: [4-(chloromethyl)phenyl](phenyl)methanone
• Formula: C14 H11 Cl O
• Calculated formula: C14 H11 Cl O
• SMILES: C(Cl)c1ccc(C(=O)c2ccccc2)cc1
• Title of publication: 4-(Chloromethyl)benzophenone
• Authors of publication: Yang-Ling Zang; Guo-Liang Wu; Wei-Jian Xu; Chun-Hua Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3339 - o3339
• a: 7.5227 ± 0.0005 Å
• b: 11.4535 ± 0.0007 Å
• c: 13.5932 ± 0.0007 Å
• α: 90°
• β: 102.694 ± 0.004°
• γ: 90°
• Cell volume: 1142.58 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes