A New Solvated Phosphoric Triamide, [(C₆H₄(3-CH₃)NH)₃P(O)] · (C₂H₅OH): A Database Analysis of N Atom Geometry in Compounds with an [N]₃P(O) Fragment

Abstract

In the crystal structure of the title compound C₂₁H₂₄N₃OP · C₂H₅OH, there are three crystallographically independent phosphoric triamide molecules and three ethanol molecules. The environments of the nitrogen atoms are practically planar. The phosphorus atoms display a distorted tetrahedral environment; the maximum and minimum values of angles are observed for one O‒P‒N and one N‒P‒N angles, respectively. In this structure, the phosphoramide and ethanol molecules are linked by some different intermolecular O‒H···O and N‒H···O hydrogen bonds to form chains. The title solvated compound has been further characterized by IR and ³¹P{¹H}, ¹H and ¹³C NMR spectroscopy. The geometry of the nitrogen atoms in this compound is analyzed and compared with those of analogous structures deposited in the Cambridge Structural Database (CSD; Allen, Acta Cryst. 2002, B58, 380-388).

GRAPHICAL ABSTRACT

Keywords:

• CSD
• crystal structure
• phosphoric triamide