Information card for entry 2237568

Structure parameters

• Chemical name: 2-[<i>N</i>-(4-Methoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate
• Formula: C14 H14 N2 O4 S
• Calculated formula: C14 H14 N2 O4 S
• SMILES: s1c(nc(c1)OC(=O)C)N(C(=O)C)c1ccc(cc1)OC
• Title of publication: 2-[<i>N</i>-(4-Methoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate
• Authors of publication: Horishny, Volodymyr; Lesyk, Roman; Gzella, Andrzej K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o391
• a: 8.9445 ± 0.0005 Å
• b: 9.5736 ± 0.0008 Å
• c: 9.9078 ± 0.0009 Å
• α: 115.509 ± 0.009°
• β: 93.381 ± 0.006°
• γ: 108.144 ± 0.006°
• Cell volume: 708.96 ± 0.12 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: 0.0401
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes