Information card for entry 2226941

Structure parameters

• Chemical name: 2-[(2<i>Z</i>,3<i>E</i>)-2-Hydroxyimino-5-phenyl-2,3-dihydro-3- thienylidene]-2-phenylacetonitrile
• Formula: C18 H12 N2 O S
• Calculated formula: C18 H12 N2 O S
• SMILES: S1C(c2ccccc2)=CC(/C1=N/O)=C(/C#N)c1ccccc1
• Title of publication: 2-[(2<i>Z</i>,3<i>E</i>)-2-Hydroxyimino-5-phenyl-2,3-dihydro-3-thienylidene]-2-phenylacetonitrile
• Authors of publication: Rad, Nazar; Teslenko, Yuri; Obushak, Mykola; Pavlyuk, Volodymyr; Marciniak, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1924
• a: 7.9826 ± 0.0005 Å
• b: 21.34 ± 0.0007 Å
• c: 8.7253 ± 0.0005 Å
• α: 90°
• β: 90.471 ± 0.007°
• γ: 90°
• Cell volume: 1486.29 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes