Information card for entry 2202531

Structure parameters

• Chemical name: 2-(3-Ethyl-2,3,4,5-tetrahydro-4-oxo-2-thioxo-4-thiazolidin-5-ylidene)- 1,2-dihydroacenaphthylen-1-one
• Formula: C17 H11 N O2 S2
• Calculated formula: C17 H11 N O2 S2
• SMILES: S1\C(=c2c3c4c(c/2=O)cccc4ccc3)C(=O)N(C1=S)CC
• Title of publication: 2-(3-Ethyl-2,3,4,5-tetrahydro-4-oxo-2-thioxo-4-thiazolidin-5-ylidene)-1,2-dihydroacenaphthylen-1-one
• Authors of publication: Sundar, T.V.; Parthasarathi, V.; García-Granda, S.; Jain, Abhinandan; Pardasani, R.T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1967 - o1969
• a: 7.382 ± 0.005 Å
• b: 26.375 ± 0.005 Å
• c: 7.511 ± 0.005 Å
• α: 90°
• β: 92.911 ± 0.005°
• γ: 90°
• Cell volume: 1460.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes