Information card for entry 2014113

Structure parameters

• Chemical name: 2-{[1(E)-(4-methoxyphenyl)methylene]amino}-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C24 H24 N2 O2 S
• Calculated formula: C24 H24 N2 O2 S
• SMILES: s1c2c(CCCC2)c(c1/N=C/c1ccc(OC)cc1)C(=O)Nc1cccc(c1)C
• Title of publication: Two biologically active thiophene-3-carboxamide derivatives
• Authors of publication: Vasu; K. A. Nirmala; Deepak Chopra; S. Mohan; J.Saravanan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o636 - o638
• a: 8.184 ± 0.005 Å
• b: 19.786 ± 0.011 Å
• c: 12.884 ± 0.007 Å
• α: 90°
• β: 96.994 ± 0.01°
• γ: 90°
• Cell volume: 2071 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes