Information card for entry 2207166

Structure parameters

• Chemical name: (E,E,E)-2-(2-{[3-(2,6-Dichlorophenyl)-1-methyl-trans-2- propenylidene]aminooxymethyl}phenyl)-2-methoxyimino-N-methylacetamide
• Formula: C21 H21 Cl2 N3 O3
• Calculated formula: C21 H21 Cl2 N3 O3
• SMILES: Clc1c(C=CC(=NOCc2c(cccc2)C(=NOC)C(=O)NC)C)c(Cl)ccc1
• Title of publication: (<i>E</i>,<i>E</i>,<i>E</i>)-2-(2-{[3-(2,6-Dichlorophenyl)-1-methyl-<i>trans</i>-2-propenylidene]aminooxymethyl}phenyl)-2-methoxyimino-<i>N</i>-methylacetamide
• Authors of publication: Yan, Fan-Yong; Liu Dong-Qing; Zeng Tao; Zhou, Ren-bing; Duan Xue-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3621 - o3622
• a: 8.2864 ± 0.0014 Å
• b: 14.469 ± 0.002 Å
• c: 17.703 ± 0.003 Å
• α: 90°
• β: 99.681 ± 0.003°
• γ: 90°
• Cell volume: 2092.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes