Information card for entry 2104355

Structure parameters

• Common name: Hantzsch 1,4-dihydropyridine ester
• Chemical name: diethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate
• Formula: C20 H25 N O5
• Calculated formula: C20 H25 N O5
• SMILES: CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OC)C(=O)OCC)C
• Title of publication: Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs
• Authors of publication: Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: 375 - 381
• a: 9.7834 ± 0.0007 Å
• b: 7.4749 ± 0.0005 Å
• c: 26.6788 ± 0.0018 Å
• α: 90°
• β: 98.171 ± 0.001°
• γ: 90°
• Cell volume: 1931.2 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No