Information card for entry 2213254

Structure parameters

• Chemical name: Dimethyl 2-[(E)-(hydroxyimino)methyl]-6-methyl-4-(2-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C15 H16 N2 O5 S
• Calculated formula: C15 H16 N2 O5 S
• SMILES: O/N=C/C1=C(C(=O)OC)[C@H](C(=C(N1)C)C(=O)OC)c1cccs1
• Title of publication: Dimethyl 2-[(<i>E</i>)-(hydroxyimino)methyl]-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Šafář Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2240 - o2242
• a: 8.3272 ± 0.0002 Å
• b: 10.0252 ± 0.0002 Å
• c: 19.173 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.6 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes