Information card for entry 2222277

Structure parameters

• Chemical name: Ethyl 1-(2-bromopropanoyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3- carboxylate
• Formula: C23 H24 Br N O4
• Calculated formula: C23 H24 Br N O4
• SMILES: CCOC(=O)C1=C(O)C[C@@H](N([C@@H]1c1ccccc1)C(=O)[C@@H](Br)C)c1ccccc1.CCOC(=O)C1=C(O)C[C@H](N([C@H]1c1ccccc1)C(=O)[C@H](Br)C)c1ccccc1
• Title of publication: Ethyl 1-(2-bromopropanoyl)-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Aridoss, G.; Gayathri, D.; Velmurugan, D.; Kim, M. S.; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1708 - o1709
• a: 10.397 ± 0.0004 Å
• b: 14.4874 ± 0.0006 Å
• c: 15.858 ± 0.0007 Å
• α: 65.457 ± 0.002°
• β: 89.556 ± 0.003°
• γ: 80.597 ± 0.003°
• Cell volume: 2138.8 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes