Information card for entry 2216437

Structure parameters

• Chemical name: 2-[(Z)-(2,5-Dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
• Formula: C17 H18 Cl2 N2 O
• Calculated formula: C17 H18 Cl2 N2 O
• SMILES: Clc1c(/N=C/c2c(O)cc(N(CC)CC)cc2)cc(Cl)cc1
• Title of publication: 2-[(<i>Z</i>)-(2,5-Dichlorophenyl)iminomethyl]-5-(diethylamino)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: o4592 - o4593
• a: 7.1729 ± 0.0002 Å
• b: 18.6396 ± 0.0006 Å
• c: 12.6378 ± 0.0004 Å
• α: 90°
• β: 104.157 ± 0.003°
• γ: 90°
• Cell volume: 1638.36 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes