Information card for entry 2239901

Structure parameters

• Chemical name: <i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]acetamide
• Formula: C22 H19 Cl N2 O3 S
• Calculated formula: C22 H19 Cl N2 O3 S
• SMILES: Clc1c(C(=O)c2cc(sc2NC(=O)C/N=C/c2c(O)cccc2)CC)cccc1
• Title of publication: Crystal structure of <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(<i>E</i>)-(2-hydroxybenzylidene)amino]acetamide
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1011 - o1012
• a: 9.7888 ± 0.0002 Å
• b: 16.9476 ± 0.0003 Å
• c: 12.2863 ± 0.0003 Å
• α: 90°
• β: 90.6654 ± 0.0019°
• γ: 90°
• Cell volume: 2038.12 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes