Information card for entry 2238229

Structure parameters

• Chemical name: 2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile
• Formula: C12 H7 N3 O
• Calculated formula: C12 H7 N3 O
• SMILES: N#CC(=C1c2ccccc2N(C1=O)C)C#N
• Title of publication: 2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile
• Authors of publication: Wang, De-Cai; Tang, Wei; Su, Peng; Ou-Yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1095
• a: 6.972 ± 0.0014 Å
• b: 9.929 ± 0.002 Å
• c: 15.084 ± 0.003 Å
• α: 90°
• β: 100.25 ± 0.03°
• γ: 90°
• Cell volume: 1027.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0889
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes