Synthesis and structural study of two new phosphorus-oxygen compounds belonging to two different families of phosphoriamides and phosphates

Abstract

In the present work, two new phosphorus(V)-oxygen compounds [2-Cl-6-F-C6H3C(O)NH]P(O)[NHC6H3(3,5-CH3)2]2 (compound 1) and [P3O9][(CH3)3CNH3]3 (compound 2), belonging to the families of “phosphoramide” and “cyclo-triphosphate”, respectively, are synthesized and structurally studied by using single-crystal X-ray diffraction analysis. Compounds 1 and 2 crystallize in the monoclinic space group P21/c and the hexagonal space group P63, respectively. The asymmetric unit is composed of one complete phosphoramide molecule for 1 and one t-butyl ammonium cation and one-third of cyclotriphosphate anion for 2. In both structures, phosphorus atom adopts a distorted tetrahedral conformation, in the P(O)(N)3 (for 1) and P(O)4 (for 2) environments. In the crystal structure of 1, a one-dimensional linear arrangement is formed along the a-axis by linking neighboring molecules via normal hydrogen bonds N—H•••O. Further stabilization of this structure as a three-dimensional network is provided by the weak interactions C—H…O═P, C—H…, and C—H…Cl. In the crystal structure of 2, a three-dimensional network is displayed consist of hexagonal units formed by the connection of t-butyl ammonium cations and cyclotriphosphate anions via normal hydrogen bonds N—H•••O.

Keywords

• crystal structure
• phosphoramide
• cyclotriphosphate
• asymmetric unit
• n—h•••o hydrogen bond