Information card for entry 2022529

Structure parameters

• Chemical name: (<i>Z</i>)-3-[(3-Acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal
• Formula: C11 H10 Br N O3
• Calculated formula: C11 H10 Br N O3
• SMILES: Br/C(C=O)=C\Nc1cccc(c1O)C(=O)C
• Title of publication: Syntheses, crystal structures and Hirshfeld surface analysis of (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex
• Authors of publication: Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• a: 9.8671 ± 0.0007 Å
• b: 10.6765 ± 0.0008 Å
• c: 11.8719 ± 0.0008 Å
• α: 85.77 ± 0.002°
• β: 86.907 ± 0.002°
• γ: 63.586 ± 0.002°
• Cell volume: 1116.73 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes