Information card for entry 2018384

Structure parameters

• Chemical name: phenyl bis(2-chlorobenzylamido)phosphinate
• Formula: C20 H19 Cl2 N2 O2 P
• Calculated formula: C20 H19 Cl2 N2 O2 P
• SMILES: Clc1c(CNP(=O)(Oc2ccccc2)NCc2c(Cl)cccc2)cccc1
• Title of publication: The double H-atom acceptability of the P=O group in new <i>X</i>P(O)(NHCH~2~C~6~H~4~-2-Cl)~2~ phosphoramidates [<i>X</i> = C~6~H~5~O‒ and CF~3~C(O)NH‒]: a database analysis of compounds having a P(O)(NH<i>R</i>) group
• Authors of publication: Pourayoubi, Mehrdad; Nečas, Marek; Negari, Monireh
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o51 - o56
• a: 7.4673 ± 0.0004 Å
• b: 10.4338 ± 0.0005 Å
• c: 12.9911 ± 0.0006 Å
• α: 86.215 ± 0.004°
• β: 79.611 ± 0.004°
• γ: 78.588 ± 0.004°
• Cell volume: 975.41 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes