Information card for entry 2218383

Structure parameters

• Common name: hydroxamic
• Chemical name: 2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydroisoquinolin-1(2H)-one
• Formula: C11 H12 N2 O4
• Calculated formula: C11 H12 N2 O4
• SMILES: C1(=O)c2cc(ccc2CC(C)(C)N1O)N(=O)=O
• Title of publication: 2-Hydroxy-3,3-dimethyl-7-nitro-3,4-dihydroisoquinolin-1(2<i>H</i>)-one
• Authors of publication: Ben Salah, Hassen; Kammoun, Majed; Hamdi, Besma; Bohé, Luis; Damak, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1050
• a: 5.8805 ± 0.0009 Å
• b: 18.605 ± 0.004 Å
• c: 10.1588 ± 0.0017 Å
• α: 90°
• β: 103.056 ± 0.012°
• γ: 90°
• Cell volume: 1082.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes