Information card for entry 2216274

Structure parameters

• Chemical name: 5-(Diethylamino)-2-[(Z)-(1-naphthylimino)methyl]phenol
• Formula: C21 H22 N2 O
• Calculated formula: C21 H22 N2 O
• SMILES: CCN(c1ccc(c(c1)O)/C=N/c1cccc2c1cccc2)CC
• Title of publication: 5-(Diethylamino)-2-[(<i>Z</i>)-(1-naphthylimino)methyl]phenol
• 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: o4588 - o4589
• a: 7.5329 ± 0.0005 Å
• b: 14.604 ± 0.0001 Å
• c: 7.9904 ± 0.0005 Å
• α: 90°
• β: 95.951 ± 0.006°
• γ: 90°
• Cell volume: 874.29 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0871
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes