Information card for entry 2014114

Structure parameters

• Chemical name: N-(4-methylphenyl)-2-{[1(E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C24 H24 N2 O S
• Calculated formula: C24 H24 N2 O S
• SMILES: s1c2c(CCCC2)c(c1/N=C/c1ccc(cc1)C)C(=O)Nc1ccc(cc1)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: 7.658 ± 0.007 Å
• b: 12.365 ± 0.011 Å
• c: 12.569 ± 0.011 Å
• α: 108.49 ± 0.013°
• β: 103.745 ± 0.014°
• γ: 106.02 ± 0.013°
• Cell volume: 1013.5 ± 1.6 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: 0.0672
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes