Information card for entry 2235880

Structure parameters

• Chemical name: (<i>Z</i>)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)imino]-1,3-thiazolidin-4-one
• Formula: C22 H22 N2 O S
• Calculated formula: C22 H22 N2 O S
• SMILES: S1C(=N\C2C(=CCCC2)c2ccccc2)/N(C(=O)C1)Cc1ccccc1
• Title of publication: (<i>Z</i>)-3-Benzyl-2-[(2-phenylcyclohex-2-enyl)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: 8
• Pages of publication: o2563 - o2564
• a: 12.84 ± 0.0002 Å
• b: 8.9261 ± 0.0001 Å
• c: 17.9634 ± 0.0003 Å
• α: 90°
• β: 118.476 ± 0.001°
• γ: 90°
• Cell volume: 1809.72 ± 0.05 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: 0.0682
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes