Information card for entry 2234907

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2- en-1-yl)imino]-1,3-thiazolidin-4-one
• Formula: C22 H22 N2 O S
• Calculated formula: C22 H22 N2 O S
• SMILES: S1/C(=N\C2C(=CCCC2)c2ccccc2)N(C(=O)C1)c1ccc(cc1)C
• Title of publication: (<i>Z</i>)-3-(4-Methylphenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one
• Authors of publication: Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1796 - o1797
• a: 9.2252 ± 0.0004 Å
• b: 17.6978 ± 0.0008 Å
• c: 12.8898 ± 0.0004 Å
• α: 90°
• β: 119.289 ± 0.002°
• γ: 90°
• Cell volume: 1835.44 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0441
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes