Information card for entry 2311523

Structure parameters

• Chemical name: (<i>Z</i>)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one
• Formula: C9 H12 N2 O3 S
• Calculated formula: C9 H12 N2 O3 S
• SMILES: S1/C(=C\C(=O)N2CCOCC2)NC(=O)C1
• Title of publication: Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.
• Authors of publication: Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1850 - 1854
• a: 9.974 ± 0.0004 Å
• b: 11.2175 ± 0.0004 Å
• c: 9.3155 ± 0.0004 Å
• α: 90°
• β: 100.389 ± 0.004°
• γ: 90°
• Cell volume: 1025.16 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No