Information card for entry 2217047

Structure parameters

• Common name: thiadiazole
• Chemical name: N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide
• Formula: C17 H22 N4 O3 S
• Calculated formula: C17 H22 N4 O3 S
• SMILES: S1[C@](N(N=C1NC(=O)C)C(=O)C)([C@@H](NC(=O)C)Cc1ccccc1)C.S1[C@@](N(N=C1NC(=O)C)C(=O)C)([C@H](NC(=O)C)Cc1ccccc1)C
• Title of publication: <i>N</i>-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide
• Authors of publication: P. Sakthivel; P. S. Joseph; P. Thomas Muthiah; K. Sethusankar; S. Thennarasu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o216 - o216
• a: 18.3623 ± 0.0009 Å
• b: 14.1565 ± 0.0007 Å
• c: 14.1386 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3675.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes