Information card for entry 2204909

Structure parameters

• Chemical name: Ethyl 5-amino-3-methylisoxazole-4-carboxylate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: o1nc(c(c1N)C(=O)OCC)C
• Title of publication: Ethyl 5-amino-3-methylisoxazole-4-carboxylate
• Authors of publication: Sony, S. M. Malathy; Charles, P.; Ponnuswamy, M. N.; Yathirajan, H. S.; Nethaji, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o198 - o200
• a: 12.642 ± 0.002 Å
• b: 8.5036 ± 0.0014 Å
• c: 16.934 ± 0.003 Å
• α: 90°
• β: 98.488 ± 0.003°
• γ: 90°
• Cell volume: 1800.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes