Information card for entry 2226167

Structure parameters

• Common name: 3',5'-dibromo-4'-nethoxyisonitrosoacetanilide
• Chemical name: (2<i>E</i>)-<i>N</i>-(3,5-Dibromo-4-methoxyphenyl)-2-(hydroxyimino)acetamide
• Formula: C9 H8 Br2 N2 O3
• Calculated formula: C9 H8 Br2 N2 O3
• SMILES: Brc1cc(NC(=O)/C=N/O)cc(Br)c1OC
• Title of publication: (2<i>E</i>)-<i>N</i>-(3,5-Dibromo-4-methoxyphenyl)-2-(hydroxyimino)acetamide
• Authors of publication: Garden, Simon J.; Pinto, Angelo C.; da Cunha, Fernanda R.; Fontes, Silvia P.; Lima, A. S.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1436 - o1437
• a: 10.3841 ± 0.0002 Å
• b: 8.8535 ± 0.0001 Å
• c: 13.0164 ± 0.0003 Å
• α: 90°
• β: 106.356 ± 0.001°
• γ: 90°
• Cell volume: 1148.24 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes