Information card for entry 2231210

Structure parameters

• Chemical name: 3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
• Formula: C17 H13 N O S2
• Calculated formula: C17 H13 N O S2
• SMILES: S1C(=C\c2ccccc2)/C(=O)N(C1=S)Cc1ccccc1
• Title of publication: 3-Benzyl-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
• Authors of publication: Shahwar, Durre; Raza, Muhammad Asam; Aslam, Saherish; Mehmood, Sumbal; Tariq, Sidra; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2083
• a: 6.3152 ± 0.0002 Å
• b: 10.8168 ± 0.0003 Å
• c: 11.4545 ± 0.0003 Å
• α: 84.115 ± 0.0009°
• β: 77.6 ± 0.0009°
• γ: 76.177 ± 0.0009°
• Cell volume: 740.99 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes