Information card for entry 2239940

Structure parameters

• Chemical name: Diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate
• Formula: C18 H25 N2 O7 P
• Calculated formula: C18 H25 N2 O7 P
• SMILES: c1(ccccc1C(Nc1ccc(cc1)N(=O)=O)P(=O)(OCC)OCC)O.CO
• Title of publication: Crystal structure of diethyl [(4-nitrophenylamino)(2-hydroxyphenyl)methyl]phosphonate methanol monosolvate
• Authors of publication: Wang, QingMing; Su, Feng; Yang, TingTing; Lu, LiPing; Zhu, MiaoLi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1053 - o1054
• a: 9.401 ± 0.006 Å
• b: 10.061 ± 0.006 Å
• c: 11.963 ± 0.007 Å
• α: 101.328 ± 0.01°
• β: 94.183 ± 0.01°
• γ: 104.549 ± 0.009°
• Cell volume: 1064.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes