Information card for entry 2223813

Structure parameters

• Chemical name: (5<i>Z</i>)-5-(2-Methylbenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
• Formula: C17 H13 N O S2
• Calculated formula: C17 H13 N O S2
• SMILES: S1/C(C(=O)N(c2ccccc2)C1=S)=C\c1c(cccc1)C
• Title of publication: (5<i>Z</i>)-5-(2-Methylbenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Raza, Muhammad Asam; Iqbal, Bushra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2917
• a: 9.8317 ± 0.0004 Å
• b: 16.6317 ± 0.0006 Å
• c: 9.3865 ± 0.0004 Å
• α: 90°
• β: 93.541 ± 0.002°
• γ: 90°
• Cell volume: 1531.93 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes