Information card for entry 2209805

Structure parameters

• Chemical name: 2-(1,3-Benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-isopropylacetamide
• Formula: C18 H17 F N2 O2 S
• Calculated formula: C18 H17 F N2 O2 S
• SMILES: s1c2c(nc1OCC(=O)N(c1ccc(F)cc1)C(C)C)cccc2
• Title of publication: 2-(1,3-Benzothiazol-2-yloxy)-<i>N</i>-(4-fluorophenyl)-<i>N</i>-isopropylacetamide
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3515 - o3516
• a: 17.747 ± 0.002 Å
• b: 15.266 ± 0.002 Å
• c: 13.299 ± 0.001 Å
• α: 90°
• β: 108.243 ± 0.006°
• γ: 90°
• Cell volume: 3421.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes