Information card for entry 2216918

Structure parameters

• Chemical name: 4-Nitrophenyl N-(2-isopropylthiazol-4-ylmethyl)-N-methylcarbamate
• Formula: C15 H17 N3 O4 S
• Calculated formula: C15 H17 N3 O4 S
• SMILES: s1c(C(C)C)nc(c1)CN(C)C(=O)Oc1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitrophenyl <i>N</i>-(2-isopropylthiazol-4-ylmethyl)-<i>N</i>-methylcarbamate
• Authors of publication: Xu, Hao; Wang, Peng; Huang, Wen-long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o149 - o149
• a: 12.25 ± 0.003 Å
• b: 10.876 ± 0.002 Å
• c: 24.845 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3310.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1961
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes