Information card for entry 2219788

Structure parameters

• Chemical name: N-[4-Acetyl-5-(3-methoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
• Formula: C13 H15 N3 O3 S
• Calculated formula: C13 H15 N3 O3 S
• SMILES: c1(cccc(c1)C1N(C(=O)C)N=C(NC(=O)C)S1)OC
• Title of publication: <i>N</i>-[4-Acetyl-5-(3-methoxyphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
• Authors of publication: Aridoss, G.; Amirthaganesan, S.; Velmurugan, D.; Kim, S. H.; Jeong, Y. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2096
• a: 11.379 ± 0.0004 Å
• b: 10.5993 ± 0.0003 Å
• c: 11.9596 ± 0.0002 Å
• α: 90°
• β: 108.225 ± 0.002°
• γ: 90°
• Cell volume: 1370.08 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes