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α‐substitued phosphoryl compounds (IV). The crystal and molecular structure of diethyl[bis‐(p‐chlorophenoxy)‐methan]‐phosphonate, C 17 H 19 O 5 PCl 2
Author(s) -
Kulpe S.,
Seidel I.
Publication year - 1980
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19800150203
Subject(s) - triclinic crystal system , phosphonate , diffractometer , crystal structure , chemistry , crystallography , molecule , derivative (finance) , stereochemistry , x ray crystallography , diffraction , organic chemistry , physics , optics , financial economics , economics
Diethyl‐[bis‐(p‐chlorophenoxy)‐methan]‐phosphonate crystallizes in the triclinic space group P 1 with two molecules per unit cell. The lattice parameters are a = 8.757 Å, b = 10.479 Å, c = 12.878 Å, α = 82.21°, β = 116.27°, γ = 113.80°. With X‐ray diffraction data, collected on an automatic four circle diffractometer, the crystal structure was solved by direct methods and refined to an R ‐value of 0.049 for 3116 measured and symmetrically independent reflections. The substance is a derivative of acetales of formyl phosphonic acid esters. Correlations between the geometry of the structure and NMR‐data are of interest.