Information card for entry 2225255

Structure parameters

• Chemical name: 5-Methyl 3-(2-methylprop-3-yl) 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
• Formula: C20 H22 N2 O5
• Calculated formula: C20 H22 N2 O5
• SMILES: c1(ccccc1c1c(c(C)nc(c1C(=O)OCC(C)C)C)C(=O)OC)N=O
• Title of publication: 5-Methyl 3-(2-methylprop-3-yl) 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
• Authors of publication: Chen, Hui; Qu, Ding; Wang, Qiao-Feng; Jiang, Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o619
• a: 7.1831 ± 0.0004 Å
• b: 9.7819 ± 0.0006 Å
• c: 15.0245 ± 0.0009 Å
• α: 89.488 ± 0.003°
• β: 81.201 ± 0.003°
• γ: 70.625 ± 0.003°
• Cell volume: 983.19 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2676
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes