Information card for entry 2240003

Structure parameters

• Chemical name: Ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate
• Formula: C15 H20 Br N O2
• Calculated formula: C15 H20 Br N O2
• Title of publication: Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate
• Authors of publication: Zukerman-Schpector, Julio; Caracelli, I.; Stefani, Hélio A.; Khan, Amna N.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1122 - o1123
• a: 11.8746 ± 0.0006 Å
• b: 12.2023 ± 0.0005 Å
• c: 13.776 ± 0.0006 Å
• α: 97.557 ± 0.003°
• β: 110.52 ± 0.002°
• γ: 113.866 ± 0.002°
• Cell volume: 1620.2 ± 0.14 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes