Information card for entry 2204335

Structure parameters

• Chemical name: 2-Bromo-1-(1-hydroxynaphthalene-2-yl)ethanone
• Formula: C12 H9 Br O2
• Calculated formula: C12 H9 Br O2
• SMILES: Oc1c(C(=O)CBr)ccc2c1cccc2
• Title of publication: 2-Bromo-1-(1-hydroxynaphthalen-2-yl)ethanone
• Authors of publication: Yavuz Köysal; Şamil Işık; Arzu Karakurt; Sevim Dalkara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1730 - o1732
• a: 4.9207 ± 0.0005 Å
• b: 10.5041 ± 0.001 Å
• c: 20.357 ± 0.002 Å
• α: 90°
• β: 100.293 ± 0.008°
• γ: 90°
• Cell volume: 1035.27 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes