Information card for entry 2102796

Structure parameters

• Common name: 4-bromobenzophenone
• Chemical name: (4-bromophenyl)(phenyl)methanone
• Formula: C13 H9 Br O
• Calculated formula: C13 H9 Br O
• SMILES: Brc1ccc(C(=O)c2ccccc2)cc1
• Title of publication: Polymorphism of 4-bromobenzophenone
• Authors of publication: Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: 296 - 302
• a: 12.124 ± 0.002 Å
• b: 14.646 ± 0.003 Å
• c: 6.1585 ± 0.0012 Å
• α: 90°
• β: 97.38 ± 0.03°
• γ: 90°
• Cell volume: 1084.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No