Information card for entry 2206216

Structure parameters

• Chemical name: 1,4-Bis[chloro(hydroximino)methyl]benzene N,N'-dimethylformamide disolvate
• Formula: C14 H20 Cl2 N4 O4
• Calculated formula: C14 H20 Cl2 N4 O4
• SMILES: O/N=C(/c1ccc(cc1)/C(=N/O)Cl)Cl.O=CN(C)C.O=CN(C)C
• Title of publication: 1,4-Bis[chloro(hydroxyimino)methyl]benzene <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Liu, Dong-Qing; Zhao, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o1970 - o1972
• a: 6.2021 ± 0.0018 Å
• b: 7.6 ± 0.002 Å
• c: 10.849 ± 0.003 Å
• α: 100.589 ± 0.004°
• β: 92.777 ± 0.005°
• γ: 113.518 ± 0.004°
• Cell volume: 456.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes