Information card for entry 2218253

Structure parameters

• Chemical name: Diethyl 5-[(2-hydroxy-1-naphthyl)methylideneamino]-3-methylthiophene-2,4-dicarboxylate
• Formula: C22 H21 N O5 S
• Calculated formula: C22 H21 N O5 S
• SMILES: s1c(/N=C/c2c(O)ccc3ccccc23)c(c(c1C(=O)OCC)C)C(=O)OCC
• Title of publication: Diethyl 5-[(2-hydroxy-1-naphthyl)methylideneamino]-3-methylthiophene-2,4-dicarboxylate
• Authors of publication: Akkurt, Mehmet; Yalçın, Şerife Pınar; Asiri, Abdullah Mohamed; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o923
• a: 8.7111 ± 0.0004 Å
• b: 11.5319 ± 0.0005 Å
• c: 11.9778 ± 0.0005 Å
• α: 61.594 ± 0.003°
• β: 79.489 ± 0.003°
• γ: 89.334 ± 0.003°
• Cell volume: 1036.67 ± 0.09 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: 0.0498
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes