Information card for entry 7712395

Structure parameters

• Formula: C11 H12 N2 S
• Calculated formula: C11 H12 N2 S
• Title of publication: Free-Catalysed Synthesis of Thiazolidine-Thiourea Ligands for Metal Coordination (Au and Ag) and Preliminary Cytotoxic Studies
• Authors of publication: Salvador, Daniel; Herrera, Raquel; Gimeno, Maria Concepcion
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 24.2242 ± 0.0005 Å
• b: 14.3455 ± 0.0003 Å
• c: 11.8463 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4116.69 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No