Information card for entry 2235451

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1- ylimino)thiazolidin-4-one
• Formula: C21 H19 Cl N2 O S
• Calculated formula: C21 H19 Cl N2 O S
• SMILES: Clc1ccc(N2C(=N\C3C(=CCCC3)c3ccccc3)\SCC2=O)cc1
• Title of publication: (<i>Z</i>)-3-(4-Chlorophenyl)-2-(2-phenylcyclohex-2-en-1-ylimino)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: 7
• Pages of publication: o1999 - o2000
• a: 9.1139 ± 0.0003 Å
• b: 17.4562 ± 0.0006 Å
• c: 12.9246 ± 0.0004 Å
• α: 90°
• β: 118.64 ± 0.002°
• γ: 90°
• Cell volume: 1804.64 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes