Information card for entry 2221823

Structure parameters

• Chemical name: 2-Methyl-1,10b-dihydro-5<i>H</i>-pyrazolo[1,5-<i>c</i>][1,3]benzoxazin-5-one
• Formula: C11 H10 N2 O2
• Calculated formula: C11 H10 N2 O2
• SMILES: C1C(=NN2C(=O)Oc3ccccc3[C@H]12)C
• Title of publication: 2-Methyl-1,10b-dihydro-5<i>H</i>-pyrazolo[1,5-<i>c</i>][1,3]benzoxazin-5-one
• Authors of publication: Kettmann, Viktor; Světlík, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o984
• a: 7.24 ± 0.002 Å
• b: 8.835 ± 0.002 Å
• c: 15.755 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1007.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes