Information card for entry 2220689

Structure parameters

• Chemical name: 5-Diethylamino-2-[(<i>E</i>)-(4-methyl-3-nitrophenyl)iminomethyl]phenol
• Formula: C18 H21 N3 O3
• Calculated formula: C18 H21 N3 O3
• Title of publication: 5-Diethylamino-2-[(<i>E</i>)-(4-methyl-3-nitrophenyl)iminomethyl]phenol: a redetermination
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Vijesh, A. M.; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o349 - o350
• a: 7.2777 ± 0.0001 Å
• b: 22.1792 ± 0.0005 Å
• c: 10.3473 ± 0.0002 Å
• α: 90°
• β: 103.713 ± 0.001°
• γ: 90°
• Cell volume: 1622.59 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0742
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1174
• 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