Information card for entry 2022530

Structure parameters

• Chemical name: Di-μ-acetato-1:2κ^4^<i>O</i>:<i>O</i>'-(μ-2-acetyl-6-{[(<i>Z</i>)-2-bromo-3-oxoprop-1-en-1-yl]azanidyl}phenolato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^6^)(<i>N</i>,<i>N</i>-dimethyl-acetamide-1κ<i>O</i>)dizinc(II)
• Formula: C19 H23 Br N2 O8 Zn2
• Calculated formula: C19 H23 Br N2 O8 Zn2
• SMILES: [Zn]123([O]4[Zn]5(OC=C(Br)C=[N]5c5cccc(c45)C(=[O]1)C)([O]=C(O2)C)OC(=[O]3)C)[O]=C(N(C)C)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: 8.03 ± 0.0005 Å
• b: 10.1184 ± 0.001 Å
• c: 14.4723 ± 0.0014 Å
• α: 87.217 ± 0.008°
• β: 89.232 ± 0.007°
• γ: 83.518 ± 0.007°
• Cell volume: 1166.95 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes