Information card for entry 2224134

Structure parameters

• Chemical name: (<i>Z</i>)-Amino(2-methyl-3-oxoisoindolin-1-ylidene)acetonitrile
• Formula: C11 H9 N3 O
• Calculated formula: C11 H9 N3 O
• SMILES: N#C/C(=C1\c2ccccc2C(=O)N1C)N
• Title of publication: (<i>Z</i>)-Amino(2-methyl-3-oxoisoindolin-1-ylidene)acetonitrile
• Authors of publication: Schollmeyer, Dieter; Ferenc, Dorota; Opatz, Till
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3024
• a: 8.5021 ± 0.0007 Å
• b: 8.508 ± 0.0006 Å
• c: 14.0412 ± 0.0011 Å
• α: 80.741 ± 0.005°
• β: 80.797 ± 0.005°
• γ: 68.329 ± 0.004°
• Cell volume: 925.98 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes