Information card for entry 2230375

Structure parameters

• Chemical name: Diethyl 4-[2-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C23 H27 N3 O5
• Calculated formula: C23 H27 N3 O5
• SMILES: O=C(OCC)C1=C(NC(=C(C1c1cn[nH]c1c1ccc(OC)cc1)C(=O)OCC)C)C
• Title of publication: Diethyl 4-[2-(4-methoxyphenyl)-1<i>H</i>-pyrazol-3-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Vijesh, A. M.; Isloor, A. M.; Malladi, Shridhar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1417 - o1418
• a: 8.58 ± 0.0001 Å
• b: 11.1286 ± 0.0001 Å
• c: 11.4996 ± 0.0001 Å
• α: 94.425 ± 0.001°
• β: 99.191 ± 0.001°
• γ: 92.992 ± 0.001°
• Cell volume: 1078.37 ± 0.019 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0594
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes