Information card for entry 2206722

Structure parameters

• Chemical name: N-(2-Chlorophenyl)-2-{[(1E)-(4-methoxyphenyl)methylene]amino}-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide
• Formula: C23 H21 Cl N2 O2 S
• Calculated formula: C23 H21 Cl N2 O2 S
• SMILES: Clc1c(NC(=O)c2c(/N=C/c3ccc(OC)cc3)sc3CCCCc23)cccc1
• Title of publication: <i>N</i>-(2-Chlorophenyl)-2-{[(1<i>E</i>)-(4-methoxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• Authors of publication: Anilkumar, G. N.; Kokila, M. K.; Puttaraja; Mohan, S.; Manjunath Shetty, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3038 - o3040
• a: 24.727 ± 0.003 Å
• b: 10.2755 ± 0.0013 Å
• c: 8.2037 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes