Information card for entry 7056781

Structure parameters

• Formula: C10 H9 Cl2 N O2 S
• Calculated formula: C10 H9 Cl2 N O2 S
• SMILES: Clc1c([C@H]2SC[C@H](N2)C(=O)O)c(Cl)ccc1
• Title of publication: X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids
• Authors of publication: Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 1078
• a: 6.979 ± 0.0007 Å
• b: 8.4645 ± 0.0009 Å
• c: 19.895 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1175.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No