Information card for entry 2219584

Structure parameters

• Chemical name: (2<i>R</i>)-<i>N</i>-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-2- (cinnamoylamino)propanamide
• Formula: C20 H17 Cl N4 O2 S
• Calculated formula: C20 H17 Cl N4 O2 S
• SMILES: c1ccccc1/C=C/C(=O)N[C@H](C)C(=O)Nc1nnc(c2ccc(cc2)Cl)s1
• Title of publication: (2<i>R</i>)-<i>N</i>-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(cinnamoylamino)propanamide
• Authors of publication: Li, Shao-Hua; Huang, Hui-Ming; Kuang, Bin-Hai; Tu, Guo-Gang; Liu, Cheng-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2006
• a: 6.6324 ± 0.0015 Å
• b: 8.575 ± 0.002 Å
• c: 34.367 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.5 ± 0.8 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: 0.0937
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0987
• 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: Yes