Information card for entry 8107544

Structure parameters

• Formula: C11 H12 Br N O2
• Calculated formula: C11 H12 Br N O2
• Title of publication: Synthesis and crystal structure (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C11H12BrNO2
• Authors of publication: Dong, Zhang-Chao; Zheng, Liang-Liang; Pan, Bo-Wen; Shi, Yang; Zhou, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 733 - 734
• a: 7.5143 ± 0.0012 Å
• b: 11.8968 ± 0.0015 Å
• c: 12.9852 ± 0.0013 Å
• α: 90°
• β: 105.575 ± 0.014°
• γ: 90°
• Cell volume: 1118.2 ± 0.3 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No