Information card for entry 2213341

Structure parameters

• Chemical name: 5-[4-Chloro-2-(4-chlorobenzylsulfanyl)thiazol-5-ylmethylene]-3-(2,4- dichlorobenzyl)thiazolidine-2,4-dione
• Formula: C21 H12 Cl4 N2 O2 S3
• Calculated formula: C21 H12 Cl4 N2 O2 S3
• SMILES: s1c(/C=C2\SC(=O)N(C2=O)Cc2c(Cl)cc(Cl)cc2)c(Cl)nc1SCc1ccc(Cl)cc1
• Title of publication: 5-[4-Chloro-2-(4-chlorobenzylsulfanyl)thiazol-5-ylmethylene]-3-(2,4-dichlorobenzyl)thiazolidine-2,4-dione
• Authors of publication: Özgen, Özen; Bozdag̃–Dündar, Oya; Ertan, Rahmiye; Kendi, Engin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2355 - o2356
• a: 8.042 ± 0.0007 Å
• b: 14.359 ± 0.002 Å
• c: 21.2641 ± 0.0015 Å
• α: 100.386 ± 0.008°
• β: 99.594 ± 0.007°
• γ: 104.237 ± 0.01°
• Cell volume: 2283 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2863
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No