Information card for entry 2014236

Structure parameters

• Chemical name: Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
• Formula: C10 H16 N2 O2 S
• Calculated formula: C10 H16 N2 O2 S
• SMILES: s1c(N)nc(C(C)(C)C)c1C(=O)OCC
• Title of publication: Ethyl 2-amino-4-<i>tert</i>-butyl-1,3-thiazole-5-carboxylate and 6-methylimidazo[2,1-<i>b</i>]thiazole‒2-amino-1,3-thiazole (1/1)
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o592 - o594
• a: 10.6248 ± 0.0008 Å
• b: 8.6055 ± 0.0005 Å
• c: 13.0135 ± 0.0009 Å
• α: 90°
• β: 92.977 ± 0.004°
• γ: 90°
• Cell volume: 1188.24 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes