Information card for entry 2006475

Structure parameters

• Common name: 2-bromosenecioic acid
• Chemical name: 2-bromo-3-methyl-2-butenoic acid
• Formula: C5 H7 Br O2
• Calculated formula: C5 H7 Br O2
• Title of publication: 2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid)
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1278 - 1280
• a: 7.4058 ± 0.0009 Å
• b: 8.7129 ± 0.001 Å
• c: 6.0114 ± 0.0006 Å
• α: 94.915 ± 0.01°
• β: 102.386 ± 0.01°
• γ: 114.847 ± 0.008°
• Cell volume: 336.96 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No