Information card for entry 2216764

Structure parameters

• Chemical name: (6Z)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one
• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: CCN(C1=CC(=O)/C(=C\Nc2cccc(c2)O)C=C1)CC
• Title of publication: (6<i>Z</i>)-3-Diethylamino-6-(3-hydroxyanilinomethylene)cyclohexa-2,4-dien-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4566 - o4567
• a: 7.478 ± 0.0006 Å
• b: 15.822 ± 0.002 Å
• c: 12.6372 ± 0.0013 Å
• α: 90°
• β: 94.149 ± 0.009°
• γ: 90°
• Cell volume: 1491.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2058
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes