Information card for entry 2233538

Structure parameters

• Chemical name: <i>N</i>-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide
• Formula: C11 H11 N3 O2 S
• Calculated formula: C11 H11 N3 O2 S
• SMILES: s1c(nnc1OCC)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-(5-Ethoxy-1,3,4-thiadiazol-2-yl)benzamide
• Authors of publication: Kang, Sung Kwon; Cho, Nam Sook; Jeon, Min Kyeong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o544
• a: 3.9797 ± 0.0005 Å
• b: 20.138 ± 0.003 Å
• c: 14.4305 ± 0.0018 Å
• α: 90°
• β: 92.036 ± 0.002°
• γ: 90°
• Cell volume: 1155.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes