Information card for entry 2240865

Structure parameters

• Chemical name: (<i>E</i>)-5-Diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol
• Formula: C19 H25 N3 O
• Calculated formula: C19 H25 N3 O
• SMILES: CN(C)c1ccc(cc1)/N=C/c1ccc(cc1O)N(CC)CC
• Title of publication: Crystal structure of (<i>E</i>)-5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol
• Authors of publication: Rani, C. Vidya; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o503
• a: 8.8201 ± 0.0007 Å
• b: 7.885 ± 0.0007 Å
• c: 13.0639 ± 0.001 Å
• α: 90°
• β: 108.407 ± 0.003°
• γ: 90°
• Cell volume: 862.06 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes