Information card for entry 2218718

Structure parameters

• Chemical name: 6-Methyl-<i>N</i>-(4-methoxyphenyl)-2-[(E)-(4-methylphenyl)methyleneamino]- 4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxamide
• Formula: C24 H25 N3 O2 S
• Calculated formula: C24 H25 N3 O2 S
• SMILES: s1c(/N=C/c2ccc(cc2)C)c(c2CCN(Cc12)C)C(=O)Nc1ccc(OC)cc1
• Title of publication: 6-Methyl-<i>N</i>-(4-methoxyphenyl)-2-[(<i>E</i>)-(4-methylphenyl)methyleneamino]-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxamide
• Authors of publication: Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Saravanan, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1258
• a: 8.3905 ± 0.0011 Å
• b: 9.9883 ± 0.0013 Å
• c: 12.9549 ± 0.0017 Å
• α: 91.375 ± 0.002°
• β: 94.789 ± 0.003°
• γ: 96.121 ± 0.002°
• Cell volume: 1075.2 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes