Information card for entry 2241303

Structure parameters

• Common name: DPIM
• Chemical name: 2-{[(<i>E</i>)-(4-Anilinophenyl)iminiumyl]methyl}-5-(diethylamino)phenolate
• Formula: C23 H25 N3 O
• Calculated formula: C23 H25 N3 O
• SMILES: C1(C=C(C=C/C1=C/Nc1ccc(cc1)Nc1ccccc1)N(CC)CC)=O
• Title of publication: Crystal structure of 2-{[(<i>E</i>)-(4-anilinophenyl)iminiumyl]methyl}-5-(diethylamino)phenolate
• Authors of publication: Faizi, Md. Serajul Haque; Ohui, Kateryna A.; Golenya, Irina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1433 - 1435
• a: 18.0358 ± 0.0016 Å
• b: 11.3851 ± 0.0008 Å
• c: 9.4815 ± 0.0009 Å
• α: 90°
• β: 104.56 ± 0.003°
• γ: 90°
• Cell volume: 1884.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes