Information card for entry 2005599

Structure parameters

• Chemical name: 2-(p-diethylaminophenyl)-1,3-indandione
• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: O=C1c2c(cccc2)C(=O)/C1=C/c1ccc(N(CC)CC)cc1
• Title of publication: 2-(<i>p</i>-Diethylaminobenzylidene)-1,3-indandione
• Authors of publication: Khodorkovsky, V.; Mazor, R. A.; Ellern, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2878 - 2880
• a: 7.611 ± 0.003 Å
• b: 20.972 ± 0.01 Å
• c: 10.312 ± 0.004 Å
• α: 90°
• β: 99.93°
• γ: 90°
• Cell volume: 1621.3 ± 1.2 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: 0.1241
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.2751
• Weighted residual factors for significantly intense reflections: 0.1898
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No