Information card for entry 1558620

Structure parameters

• Chemical name: (<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one
• Formula: C17 H10 Br Cl2 N O2
• Calculated formula: C17 H10 Br Cl2 N O2
• SMILES: Brc1ccc(C2=C/C(C(=O)O2)=C/Nc2cc(Cl)cc(Cl)c2)cc1
• Title of publication: (<i>Z</i>)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3<i>H</i>)-one
• Authors of publication: Mayorova, Oksana A.; Grinev, Vyacheslav S.; Yegorova, Alevtina Yu.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: x200937
• a: 55.051 ± 0.017 Å
• b: 3.8355 ± 0.0011 Å
• c: 35.979 ± 0.012 Å
• α: 90°
• β: 125.214 ± 0.006°
• γ: 90°
• Cell volume: 6207 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes