N,N'-Dicyclo-hexyl-N'',N''-dimethyl-phospho-ric triamide

Area of Science:

• Organophosphorus Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Organophosphorus compounds exhibit diverse chemical properties and applications.
• Understanding molecular conformation and hydrogen bonding is crucial for predicting material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(30)N(3)OP.
• To analyze the conformational preferences of cyclohexyl groups and the phosphoryl unit.
• To investigate the role of intermolecular hydrogen bonding in crystal packing.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed.
• Conformational analysis of cyclohexyl rings and the P-containing moiety.
• Identification and characterization of intermolecular hydrogen bonds.

Main Results:

• The compound C(14)H(30)N(3)OP features cyclohexyl groups in chair conformations with equatorial NH units.
• The phosphorus atom exhibits a distorted tetrahedral geometry.
• Intermolecular N-H⋯OP hydrogen bonds form R(2)(2)(8) rings, leading to chain structures along the b axis.

Conclusions:

• The crystal structure is stabilized by a network of intermolecular hydrogen bonds involving the phosphoryl oxygen.
• The observed hydrogen bonding pattern dictates the supramolecular architecture and packing in the solid state.
• This structural insight contributes to the understanding of hydrogen bonding in organophosphorus compounds.