Information card for entry 2227468

Structure parameters

• Chemical name: 2-Bromo-4-chloro-6-{(<i>E</i>)-[4-(diethylamino)phenyl]iminomethyl}phenol
• Formula: C17 H18 Br Cl N2 O
• Calculated formula: C17 H18 Br Cl N2 O
• SMILES: c1c(cc(c(c1/C=N/c1ccc(cc1)N(CC)CC)O)Br)Cl
• Title of publication: 2-Bromo-4-chloro-6-{(<i>E</i>)-[4-(diethylamino)phenyl]iminomethyl}phenol
• Authors of publication: Manvizhi, K.; Ranjith, S.; Parthiban, K.; Rajagopal, G.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2422
• a: 11.3427 ± 0.0003 Å
• b: 10.9204 ± 0.0003 Å
• c: 14.3869 ± 0.0004 Å
• α: 90°
• β: 111.418 ± 0.002°
• γ: 90°
• Cell volume: 1658.99 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0875
• 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