Information card for entry 2202114

Structure parameters

• Chemical name: Diethyl 2-methyl-6-(2-thiazolidinyl)-4-(2-thienyl-1,4-dihydropyridine- -3,5-dicarboxylate
• Formula: C19 H24 N2 O4 S2
• Calculated formula: C19 H24 N2 O4 S2
• SMILES: C1(=C([C@H](C(=C(C)N1)C(=O)OCC)c1cccs1)C(=O)OCC)[C@H]1NCCS1.C1(=C([C@@H](C(=C(C)N1)C(=O)OCC)c1cccs1)C(=O)OCC)[C@@H]1NCCS1
• Title of publication: Diethyl 2-methyl-6-(2-thiazolidinyl)-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o376 - o377
• a: 8.9441 ± 0.0018 Å
• b: 11.222 ± 0.002 Å
• c: 11.489 ± 0.002 Å
• α: 69.21 ± 0.03°
• β: 71.47 ± 0.03°
• γ: 83.99 ± 0.03°
• Cell volume: 1022.1 ± 0.4 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: 0.1397
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No