Information card for entry 2212126

Structure parameters

• Chemical name: 4,5-Dimethyl-N-(2-methylphenyl)-2-{[(1E)-(3,4,5- trimethoxyphenyl)methylene]amino}thiophene-3-carboxamide
• Formula: C24 H26 N2 O4 S
• Calculated formula: C24 H26 N2 O4 S
• SMILES: s1c(/N=C/c2cc(OC)c(OC)c(OC)c2)c(c(c1C)C)C(=O)Nc1ccccc1C
• Title of publication: 4,5-Dimethyl-<i>N</i>-(2-methylphenyl)-2-{[(1<i>E</i>)-(3,4,5-trimethoxyphenyl)methylene]amino}thiophene-3-carboxamide
• Authors of publication: Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J. Saravanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o958 - o960
• a: 7.1802 ± 0.0015 Å
• b: 16.064 ± 0.003 Å
• c: 19.354 ± 0.004 Å
• α: 90°
• β: 90.123 ± 0.003°
• γ: 90°
• Cell volume: 2232.3 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes