Information card for entry 2013505

Structure parameters

• Chemical name: ethyl 2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
• Formula: C14 H16 N2 O4 S
• Calculated formula: C14 H16 N2 O4 S
• SMILES: s1c(N)nc(c1c1cc(ccc1OC)OC)C(=O)OCC
• Title of publication: 2-Aminothiazole and 2-aminothiazolinone derivatives
• Authors of publication: Toplak, Renata; Lah, Nina; Volmajer, Julija; Leban, Ivan; Majcen Le Marechal, Alenka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o502 - o505
• a: 8.174 ± 0.0005 Å
• b: 22.8266 ± 0.0012 Å
• c: 9.03 ± 0.0005 Å
• α: 90°
• β: 116.444 ± 0.001°
• γ: 90°
• Cell volume: 1508.57 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes