Information card for entry 2014526

Structure parameters

• Chemical name: 2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(2-methylphenyl)-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: s1c(/N=C/c2ccc(Cl)cc2)c(c2c1CCCC2)C(=O)Nc1ccccc1C
• Title of publication: 2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3
• Authors of publication: Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o786 - o788
• a: 17.511 ± 0.004 Å
• b: 12.519 ± 0.003 Å
• c: 9.232 ± 0.002 Å
• α: 90°
• β: 97.406 ± 0.004°
• γ: 90°
• Cell volume: 2007 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes