Information card for entry 2229203

Structure parameters

• Chemical name: (<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol
• Formula: C13 H18 Cl N O4
• Calculated formula: C13 H18 Cl N O4
• SMILES: ClC[C@@H](O)C/N=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol
• Authors of publication: Ren, Yun; Qian, Shan; Hai, Li; Fan, Wei; Wu, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o245
• a: 6.5332 ± 0.0012 Å
• b: 8.888 ± 0.002 Å
• c: 25.29 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468.5 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes