Information card for entry 7202237

Structure parameters

• Formula: C15 H12 N2 O S
• Calculated formula: C15 H12 N2 O S
• SMILES: S1C(N(c2ccccc2)C(=O)C1)=Nc1ccccc1
• Title of publication: It is “2-imino-4-thiazolidinones” and not thiohydantoins as the reaction product of 1,3-disubstituted thioureas and chloroacetylchloride
• Authors of publication: Yella, Ramesh; Ghosh, Harisadhan; Patel, Bhisma K.
• Journal of publication: Green Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1307
• a: 10.9047 ± 0.0002 Å
• b: 10.0696 ± 0.0002 Å
• c: 24.2827 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.39 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No