Information card for entry 2223840

Structure parameters

• Chemical name: Diethyl [(4-bromophenyl)(5-chloro-2-hydroxyanilino)methyl]phosphonate
• Formula: C17 H20 Br Cl N O4 P
• Calculated formula: C17 H20 Br Cl N O4 P
• SMILES: Brc1ccc(C(P(=O)(OCC)OCC)Nc2c(O)ccc(Cl)c2)cc1
• Title of publication: Diethyl [(4-bromophenyl)(5-chloro-2-hydroxyanilino)methyl]phosphonate
• Authors of publication: Babu, V. H. H. Surendra; Krishnaiah, M.; Prasad, G. Syam; C. Suresh Reddy; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2859
• a: 7.8596 ± 0.0015 Å
• b: 9.1887 ± 0.0013 Å
• c: 14.425 ± 0.002 Å
• α: 82.921 ± 0.013°
• β: 80.372 ± 0.015°
• γ: 70.701 ± 0.016°
• Cell volume: 966.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes