Information card for entry 2206721

Structure parameters

• Chemical name: N-(3-Chlorophenyl)-2-{[(1E)-(4-methylphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C23 H21 Cl N2 O S
• Calculated formula: C23 H21 Cl N2 O S
• SMILES: Clc1cc(NC(=O)c2c(sc3CCCCc23)/N=C/c2ccc(cc2)C)ccc1
• Title of publication: <i>N</i>-(3-Chlorophenyl)-2-{[(1<i>E</i>)-(4-methylphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Authors of publication: Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Majunath Shetty, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2841 - o2843
• a: 7.828 ± 0.003 Å
• b: 19.652 ± 0.006 Å
• c: 13.086 ± 0.004 Å
• α: 90°
• β: 98.854 ± 0.005°
• γ: 90°
• Cell volume: 1989.1 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes