Information card for entry 2011648

Structure parameters

• Chemical name: Ethyl-2-amino-4-phenyl-1,3-thiazole-5-carboxylate
• Formula: C12 H12 N2 O2 S
• Calculated formula: C12 H12 N2 O2 S
• SMILES: s1c(N)nc(c1C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e586 - e586
• a: 10.3124 ± 0.0002 Å
• b: 8.6888 ± 0.0003 Å
• c: 13.3156 ± 0.0003 Å
• α: 90°
• β: 97.2427 ± 0.0015°
• γ: 90°
• Cell volume: 1183.59 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes