Information card for entry 2206322

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenoxy)-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide
• Formula: C15 H10 Cl2 N4 O2 S
• Calculated formula: C15 H10 Cl2 N4 O2 S
• SMILES: c1(c(cc(cc1)Cl)Cl)OCC(=O)Nc1nnc(c2cnccc2)s1
• Title of publication: 2-(2,4-Dichlorophenoxy)-<i>N</i>-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acetamide
• Authors of publication: Song, Xin-Jian; Shi, Bo-An; Wang, Yan-Gang; Liu, Hong-Xia; Wang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2254 - o2255
• a: 7.655 ± 0.0007 Å
• b: 9.0221 ± 0.0008 Å
• c: 22.927 ± 0.002 Å
• α: 90°
• β: 92.811 ± 0.002°
• γ: 90°
• Cell volume: 1581.5 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes