Information card for entry 2220907

Structure parameters

• Chemical name: (<i>E</i>)-(2,4-Dichlorophenyl)[2-hydroxy-6-(methoxyimino)cyclohex-1- enyl]methanone
• Formula: C14 H13 Cl2 N O3
• Calculated formula: C14 H13 Cl2 N O3
• SMILES: Clc1cc(Cl)ccc1C(=O)C1=C(O)CCCC\1=N/OC
• Title of publication: (<i>E</i>)-(2,4-Dichlorophenyl)[2-hydroxy-6-(methoxyimino)cyclohex-1-enyl]methanone
• Authors of publication: Huang, Guang-Dong; Zou, Jian-Wei; Zhao, Wen-Na; Zhao, Shu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o355
• a: 8.4096 ± 0.0017 Å
• b: 8.9944 ± 0.0018 Å
• c: 11.74 ± 0.002 Å
• α: 68.38 ± 0.03°
• β: 74.5 ± 0.03°
• γ: 62.32 ± 0.03°
• Cell volume: 726.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes