Information card for entry 2225588

Structure parameters

• Chemical name: (2<i>R</i>,3<i>R</i>)-<i>N</i>-(4-Chlorophenyl)-2,3-dihydroxy-<i>N</i>'-(5- phenyl-1,3,4-thiadiazol-2-yl)succinamide
• Formula: C18 H15 Cl N4 O4 S
• Calculated formula: C18 H15 Cl N4 O4 S
• SMILES: Clc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)Nc2nnc(s2)c2ccccc2)cc1
• Title of publication: (2<i>R</i>,3<i>R</i>)-<i>N</i>-(4-Chlorophenyl)-2,3-dihydroxy-<i>N</i>'-(5-phenyl-1,3,4-thiadiazol-2-yl)succinamide
• Authors of publication: Huang, Hui-Ming; Chen, Gen-Lin; Li, Min; Tu, Guo-Gang; Liu, Cheng-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o765
• a: 41.381 ± 0.003 Å
• b: 5.1744 ± 0.0005 Å
• c: 8.7442 ± 0.0009 Å
• α: 90°
• β: 98.315 ± 0.001°
• γ: 90°
• Cell volume: 1852.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes