Information card for entry 2219626

Structure parameters

• Chemical name: (2<i>R</i>)-2-Cinnamoylamino-<i>N</i>-[5-(4-methoxyphenyl) -1,3,4-thiadiazol-2-yl]propanamide
• Formula: C21 H20 N4 O3 S
• Calculated formula: C21 H20 N4 O3 S
• SMILES: COc1ccc(cc1)c1nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c2ccccc2)s1
• Title of publication: (2<i>R</i>)-2-Cinnamoylamino-<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
• Authors of publication: Li, Shao-Hua; Li, Gang; Huang, Hui-Ming; 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: o1887
• a: 9.082 ± 0.003 Å
• b: 9.849 ± 0.003 Å
• c: 13.644 ± 0.004 Å
• α: 79.587 ± 0.004°
• β: 83.253 ± 0.004°
• γ: 65.458 ± 0.004°
• Cell volume: 1090.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes