Information card for entry 2219755

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl 2-cyano-2-(thiazolidin-2-ylidene)acetate
• Formula: C8 H10 N2 O2 S
• Calculated formula: C8 H10 N2 O2 S
• SMILES: CCOC(=O)/C(=C1\NCCS1)C#N
• Title of publication: (<i>E</i>)-Ethyl 2-cyano-2-(thiazolidin-2-ylidene)acetate
• Authors of publication: Wang, Jian-Gang; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2145
• a: 4.0676 ± 0.0008 Å
• b: 15.46 ± 0.003 Å
• c: 14.581 ± 0.003 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 916.9 ± 0.3 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: 0.0542
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes