Information card for entry 2226812

Structure parameters

• Chemical name: Ethyl 4-hydroxy-2,6-diphenyl-1-(2-thiomorpholinoacetyl)-1,2,5,6-tetrahydropyridine- 3-carboxylate
• Formula: C26 H30 N2 O4 S
• Calculated formula: C26 H30 N2 O4 S
• SMILES: [C@@H]1(CC(=C([C@@H](c2ccccc2)N1C(=O)CN1CCSCC1)C(=O)OCC)O)c1ccccc1.[C@H]1(CC(=C([C@H](c2ccccc2)N1C(=O)CN1CCSCC1)C(=O)OCC)O)c1ccccc1
• Title of publication: Ethyl 4-hydroxy-2,6-diphenyl-1-(2-thiomorpholinoacetyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Park, K. S.; Jeong, Y. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1982
• a: 10.9561 ± 0.0006 Å
• b: 9.5665 ± 0.0006 Å
• c: 22.9011 ± 0.0012 Å
• α: 90°
• β: 93.575 ± 0.003°
• γ: 90°
• Cell volume: 2395.6 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes