Information card for entry 2228410

Structure parameters

• Chemical name: (<i>E</i>)-2,4-Dichloro-6-{1-[(2-chloroethyl)imino]ethyl}phenol
• Formula: C10 H10 Cl3 N O
• Calculated formula: C10 H10 Cl3 N O
• SMILES: ClCC/N=C(/c1cc(Cl)cc(c1O)Cl)C
• Title of publication: (<i>E</i>)-2,4-Dichloro-6-{1-[(2-chloroethyl)imino]ethyl}phenol
• Authors of publication: Xie, Yong-Sheng; Dong, Wen-Liang; He, Li-Ping; Zhang, Xin-Ling; Zhao, Bao-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3106
• a: 14.571 ± 0.0002 Å
• b: 10.2323 ± 0.0002 Å
• c: 7.7384 ± 0.0001 Å
• α: 90°
• β: 94.376 ± 0.001°
• γ: 90°
• Cell volume: 1150.39 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes