Information card for entry 2228091

Structure parameters

• Chemical name: Diethyl 2-amino-5-[(<i>E</i>)-(furan-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate
• Formula: C15 H16 N2 O5 S
• Calculated formula: C15 H16 N2 O5 S
• SMILES: s1c(/N=C/c2occc2)c(C(=O)OCC)c(C(=O)OCC)c1N
• Title of publication: Diethyl 2-amino-5-[(<i>E</i>)-(furan-2-ylmethylidene)amino]thiophene-3,4-dicarboxylate
• Authors of publication: Dufresne, Stéphane; Skene, W. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3027
• a: 9.3452 ± 0.0019 Å
• b: 14.635 ± 0.003 Å
• c: 11.343 ± 0.002 Å
• α: 90°
• β: 99.73 ± 0.03°
• γ: 90°
• Cell volume: 1529 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes