Information card for entry 2214943

Structure parameters

• Chemical name: 2-{(<i>E</i>)-[(2-Chloro-5-nitrophenyl)imino]methyl}-5-(diethylamino)phenol
• Formula: C17 H18 Cl N3 O3
• Calculated formula: C17 H18 Cl N3 O3
• SMILES: Clc1ccc(N(=O)=O)cc1/N=C/c1c(O)cc(N(CC)CC)cc1
• Title of publication: 2-{(<i>E</i>)-[(2-Chloro-5-nitrophenyl)imino]methyl}-5-(diethylamino)phenol
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Vijesh, A. M.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3748 - o3748
• a: 7.4956 ± 0.0003 Å
• b: 23.3915 ± 0.0007 Å
• c: 10.0552 ± 0.0005 Å
• α: 90°
• β: 111.008 ± 0.005°
• γ: 90°
• Cell volume: 1645.82 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 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: 0.08
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes