Information card for entry 1548683

Structure parameters

• Chemical name: (<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione
• Formula: C19 H18 N2 O3 S
• Calculated formula: C19 H18 N2 O3 S
• SMILES: CCc1ccc(CCOc2ccc(cc2)/C=C2\SC(=O)NC2=O)nc1
• Title of publication: (<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione
• Authors of publication: Balakumaran, K.; Mosesbabu, J.; Anireddy, Jayashree; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x171839
• a: 7.6756 ± 0.0002 Å
• b: 13.6762 ± 0.0003 Å
• c: 17.6561 ± 0.0004 Å
• α: 90°
• β: 110.442 ± 0.002°
• γ: 90°
• Cell volume: 1736.7 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes