Information card for entry 1549871

Structure parameters

• Chemical name: (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one
• Formula: C18 H13 Cl2 N O2
• Calculated formula: C18 H13 Cl2 N O2
• SMILES: Clc1cc(N/C=C2\C(=O)OC(=C2)c2ccc(cc2)C)cc(Cl)c1
• Title of publication: (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one
• Authors of publication: Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: x181224
• a: 7.4005 ± 0.0008 Å
• b: 10.4272 ± 0.0011 Å
• c: 10.5704 ± 0.0011 Å
• α: 86.076 ± 0.002°
• β: 72.382 ± 0.002°
• γ: 81.325 ± 0.002°
• Cell volume: 768.3 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0398
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes