Information card for entry 2222317

Structure parameters

• Chemical name: (2<i>Z</i>)-Methyl 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoate
• Formula: C7 H9 N3 O3 S
• Calculated formula: C7 H9 N3 O3 S
• SMILES: s1cc(nc1N)C(=N\OC)\C(=O)OC
• Title of publication: (2<i>Z</i>)-Methyl 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)ethanoate
• Authors of publication: Sharif, Shahzad; Tahir, M. Nawaz; Khan, Islam Ullah; Salariya, Manan Ayub; Ahmad, Sarfraz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1455
• a: 7.8096 ± 0.0004 Å
• b: 8.1994 ± 0.0005 Å
• c: 15.6247 ± 0.0009 Å
• α: 90°
• β: 92.936 ± 0.002°
• γ: 90°
• Cell volume: 999.2 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes