Information card for entry 2239866

Structure parameters

• Chemical name: Diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C20 H28 Cl N2 O5 P
• Calculated formula: C20 H28 Cl N2 O5 P
• SMILES: c1(ccc(cc1)O)C(Nc1ccc(cc1)Cl)P(=O)(OCC)OCC.CN(C)C=O
• Title of publication: Crystal structure of diethyl [(4-chloroanilino)(4-hydroxyphenyl)methyl]phosphonate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Wang, Qing-Ming; Zhu, Ming-Juan; Yang, Jin-Ming; Wang, Shan-Shan; Shang, Yan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o919 - o920
• a: 7.723 ± 0.0003 Å
• b: 11.6834 ± 0.0005 Å
• c: 13.4582 ± 0.0005 Å
• α: 69.872 ± 0.002°
• β: 88.159 ± 0.002°
• γ: 83.841 ± 0.002°
• Cell volume: 1133.58 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes