Information card for entry 2237567

Structure parameters

• Chemical name: 2-[<i>N</i>-(2,4-Dimethoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate
• Formula: C15 H16 N2 O5 S
• Calculated formula: C15 H16 N2 O5 S
• SMILES: s1c(nc(c1)OC(=O)C)N(C(=O)C)c1c(cc(cc1)OC)OC
• Title of publication: 2-[<i>N</i>-(2,4-Dimethoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate
• Authors of publication: Horishny, Volodymyr; Lesyk, Roman; Kowiel, Marcin; Gzella, Andrzej K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o356 - o357
• a: 9.1486 ± 0.0011 Å
• b: 9.3592 ± 0.0013 Å
• c: 10.2823 ± 0.0008 Å
• α: 69.212 ± 0.01°
• β: 82.91 ± 0.008°
• γ: 77.22 ± 0.011°
• Cell volume: 801.73 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes