Information card for entry 2237410

Structure parameters

• Chemical name: 3-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5-(4- methylsulfanylbenzylidene)-1,3-thiazolidine-2,4-dione
• Formula: C22 H18 F N O3 S2
• Calculated formula: C22 H18 F N O3 S2
• SMILES: C1(=O)N(C(=O)/C(=C/c2ccc(cc2)SC)S1)C(C(=O)C1CC1)c1ccccc1F
• Title of publication: 3-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5-(4-methylsulfanylbenzylidene)-1,3-thiazolidine-2,4-dione
• Authors of publication: Suresh, J.; Venkateshan, M.; Ponnuchamy, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o188
• a: 7.657 ± 0.003 Å
• b: 15.799 ± 0.005 Å
• c: 17.425 ± 0.006 Å
• α: 90°
• β: 95.641 ± 0.005°
• γ: 90°
• Cell volume: 2097.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0834
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes