Information card for entry 2223473

Structure parameters

• Common name: [(5-chloro-2-hydroxy-anilino)-(4-chloro-phenyl)-methyl] -phosphonic acid diethyl ester
• Chemical name: Diethyl [(5-chloro-2-hydroxyanilino)(4-chlorophenyl)methyl]phosphonate
• Formula: C17 H20 Cl2 N O4 P
• Calculated formula: C17 H20 Cl2 N O4 P
• SMILES: P(=O)(C(c1ccc(Cl)cc1)Nc1cc(Cl)ccc1O)(OCC)OCC
• Title of publication: Diethyl [(5-chloro-2-hydroxyanilino)(4-chlorophenyl)methyl]phosphonate
• Authors of publication: Krishnaiah, M.; Surendra Babu, V. H. H.; Syam Prasad, G.; Suresh Reddy, C.; Puranik, Vedavati G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2506 - o2507
• a: 7.79 ± 0.003 Å
• b: 9.297 ± 0.004 Å
• c: 14.372 ± 0.006 Å
• α: 82.817 ± 0.006°
• β: 80.842 ± 0.006°
• γ: 70.323 ± 0.006°
• Cell volume: 964.7 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes