Information card for entry 2220485

Structure parameters

• Chemical name: <i>N</i>-[4-Acetyl-5-isobutyl-5-(2-p-tolylpropyl)-4,5-dihydro-1,3,4-thiadiazol- 2-yl]acetamide ethyl acetate hemisolvate
• Formula: C22 H33 N3 O3 S
• Calculated formula: C22 H33 N3 O3 S
• Title of publication: <i>N</i>-[4-Acetyl-5-isobutyl-5-(2-<i>p</i>-tolylpropyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide ethyl acetate hemisolvate
• Authors of publication: Loughzail, Mohamed; Mazoir, Noureddine; Maya, Celia M.; Berraho, Moha; Benharref, Ahmed; Bouhmaida, Nouzha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o4
• a: 7.8713 ± 0.0003 Å
• b: 12.7587 ± 0.0005 Å
• c: 22.9688 ± 0.0009 Å
• α: 90°
• β: 90.937 ± 0.002°
• γ: 90°
• Cell volume: 2306.39 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes