Information card for entry 7244670

Structure parameters

• Chemical name: (Z)-3-((4-bromophenyl)amino)-1-phenylbut-2-en-1-one
• Formula: C16 H14 Br N O
• Calculated formula: C16 H14 Br0.5 N O
• Title of publication: Catalyst-free C–N bond formation under biocompatible reaction conditions
• Authors of publication: Goh, Jeffrey; Ong, Seng Kheong; Tan, Yan Sheng; Loh, Teck-Peng
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 3321 - 3325
• a: 6.3843 ± 0.0011 Å
• b: 7.1053 ± 0.0012 Å
• c: 15.724 ± 0.003 Å
• α: 90°
• β: 100.963 ± 0.007°
• γ: 90°
• Cell volume: 700.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No