Information card for entry 2205527

Structure parameters

• Common name: 2-bromobenzophenone
• Chemical name: 2-Bromobenzophenone
• Formula: C13 H9 Br O
• Calculated formula: C13 H9 Br O
• SMILES: Brc1c(C(=O)c2ccccc2)cccc1
• Title of publication: 2-Bromobenzophenone
• Authors of publication: Baumer, Vyacheslav N.; Romashkin, Roman V.; Strzhemechny, Mikhail A.; Avdeenko, Anatoly A.; Pyshkin, Oleg S.; Zubatyuk, Roman I.; Buravtseva, Lyubov M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1170 - o1172
• a: 7.836 ± 0.002 Å
• b: 16.833 ± 0.004 Å
• c: 8.49 ± 0.002 Å
• α: 90°
• β: 96.72 ± 0.02°
• γ: 90°
• Cell volume: 1112.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes