Information card for entry 2232954

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione
• Formula: C19 H12 N2 O3
• Calculated formula: C19 H12 N2 O3
• SMILES: Oc1c(c2ccccc2cc1)/C=N/N1C(=O)c2c(C1=O)cccc2
• Title of publication: 2-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]isoindoline-1,3-dione
• Authors of publication: Xu, Hua-Jie; Su, Peng-Fei; Liu, Zhao-Di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3165
• a: 7.153 ± 0.002 Å
• b: 15.503 ± 0.004 Å
• c: 13.446 ± 0.004 Å
• α: 90°
• β: 100.763 ± 0.005°
• γ: 90°
• Cell volume: 1464.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes