Information card for entry 8102679

Structure parameters

• Chemical name: (E)-3-(N-oxide-methylimino)indolin-2-one, C~9~H~8~N~2~O~2~
• Formula: C9 H8 N2 O2
• Calculated formula: C9 H8 N2 O2
• SMILES: O=C1Nc2c(C1=N(=O)C)cccc2
• Title of publication: Crystal structure of (E)-3-(N-oxide-methylimino)indolin-2-one, C9H8N2O2
• Authors of publication: Ying Tang; Bin Liu; Gang Chen; Jingfang Xu; Dan Xue
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 307
• a: 6.951 ± 0.006 Å
• b: 8.029 ± 0.007 Å
• c: 8.658 ± 0.006 Å
• α: 103 ± 0.02°
• β: 98.46 ± 0.02°
• γ: 115.404 ± 0.012°
• Cell volume: 408.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No