Information card for entry 2204853

Structure parameters

• Chemical name: N-(2-Chlorophenyl)-2-((1E)-[4-(dimethylamino)phenyl]methyleneamino)-4,7- dihydro-1-benzothiophene-3-carboxamide
• Formula: C24 H22 Cl N3 O S
• Calculated formula: C24 H22 Cl N3 O S
• SMILES: Clc1c(NC(=O)c2c(sc3CC=CCc23)/N=C/c2ccc(N(C)C)cc2)cccc1
• Title of publication: <i>N</i>-(2-Chlorophenyl)-2-{(1<i>E</i>)-[4-(dimethylamino)phenyl]methyleneamino}-4,7-dihydro-1-benzothiophene-3-carboxamide
• Authors of publication: G. N. Anil Kumar; M .K. Kokila; Puttaraja; S.Mohan; K. S. Majunath shetty; Manohar V. Kulkarni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o69 - o71
• a: 9.985 ± 0.0008 Å
• b: 13.644 ± 0.0011 Å
• c: 16.3425 ± 0.0014 Å
• α: 90°
• β: 101.292 ± 0.001°
• γ: 90°
• Cell volume: 2183.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0815
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No