Information card for entry 2238263

Structure parameters

• Chemical name: Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate
• Formula: C18 H20 N2 O3 S
• Calculated formula: C18 H20 N2 O3 S
• SMILES: s1c(/N=C/c2c(O)cccc2)c(c2CCN(Cc12)C)C(=O)OCC
• Title of publication: Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate
• Authors of publication: Çolak, Naki; Köse, Dursun Ali; Marım, Nazmiye; Çelik, Ömer; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1116 - o1117
• a: 22.0243 ± 0.0005 Å
• b: 16.1559 ± 0.0004 Å
• c: 4.8055 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1709.9 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes