Information card for entry 2242706

Structure parameters

• Chemical name: 1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one 1,1-dioxide
• Formula: C15 H18 N2 O5 S
• Calculated formula: C15 H18 N2 O5 S
• SMILES: S1(=O)(=O)C(N(C(=O)C1)C1CCCCC1)c1c(N(=O)=O)cccc1
• Title of publication: Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups
• Authors of publication: Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1695 - 1699
• a: 7.114 ± 0.002 Å
• b: 9.401 ± 0.003 Å
• c: 12.038 ± 0.003 Å
• α: 94.808 ± 0.005°
• β: 92.11 ± 0.005°
• γ: 107.198 ± 0.005°
• Cell volume: 764.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0325
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes