Information card for entry 2200732

Structure parameters

• Formula: C11 H15 N3 O2
• Calculated formula: C11 H15 N3 O2
• SMILES: ON=C(C(=NO)Nc1c(cccc1C)C)C
• Title of publication: 1-(2,6-Dimethylphenylamino)propane-1,2-dione dioxime
• Authors of publication: Hökelek, Tuncer; Zülfikaroğlu, Ayşin; Batı, Hümeyra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1247 - o1249
• a: 8.404 ± 0.002 Å
• b: 7.672 ± 0.002 Å
• c: 17.592 ± 0.003 Å
• α: 90°
• β: 102.62 ± 0.019°
• γ: 90°
• Cell volume: 1106.8 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes