Information card for entry 2233037

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)chromen-4-one
• Formula: C15 H9 Cl O2
• Calculated formula: C15 H9 Cl O2
• SMILES: Clc1ccc(c2cc(=O)c3c(cccc3)o2)cc1
• Title of publication: 2-(4-Chlorophenyl)chromen-4-one
• Authors of publication: Singh, Shailja; Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3163
• a: 22.1564 ± 0.0016 Å
• b: 3.8745 ± 0.0002 Å
• c: 26.7728 ± 0.0018 Å
• α: 90°
• β: 95.524 ± 0.006°
• γ: 90°
• Cell volume: 2287.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes