Information card for entry 2219679

Structure parameters

• Common name: 3-phenylrhodanine
• Chemical name: 3-Phenyl-2-thioxo-1,3-thiazolidin-4-one
• Formula: C9 H7 N O S2
• Calculated formula: C9 H7 N O S2
• SMILES: C1(=S)N(C(=O)CS1)c1ccccc1
• Title of publication: 3-Phenyl-2-thioxo-1,3-thiazolidin-4-one
• Authors of publication: Zhu, Feng-Xia; Zhou, Jian-Feng; Gong, Gui-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1998
• a: 12.9941 ± 0.0013 Å
• b: 5.6111 ± 0.0006 Å
• c: 12.7271 ± 0.0013 Å
• α: 90°
• β: 93.847 ± 0.003°
• γ: 90°
• Cell volume: 925.86 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes