N,N-Bis(diphenyl-phosphan-yl)cyclo--penta-namine

Area of Science:

• Organophosphorus Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the coordination geometry of nitrogen atoms in organophosphorus compounds is crucial for predicting their reactivity and properties.
• The steric influence of bulky substituents, such as phenyl rings, can significantly impact molecular geometry and crystal packing.
• Exploring intermolecular interactions, like hydrogen bonds and pi-pi stacking, is key to designing novel supramolecular architectures.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(29)H(29)NP(2).
• To analyze the coordination geometry around the nitrogen and phosphorus atoms.
• To investigate the types and roles of intermolecular interactions in the formation of the crystal network.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Geometric parameters, including bond angles and lengths, were analyzed.
• Analysis of non-covalent interactions, such as C-H⋯P hydrogen bonds and C-H⋯π interactions, was performed.

Main Results:

• The nitrogen atom exhibits an almost planar geometry (bond angles 115.22–121.76°) due to steric hindrance from phenyl rings.
• Phosphorus atoms display pyramidal coordination environments (bond angles 100.62–104.71°).
• A positional disorder was observed in one carbon atom of the cyclopentyl ring.
• Intra- and intermolecular C-H⋯P hydrogen bonds and C-H⋯π interactions facilitate the formation of a 2D supramolecular network.

Conclusions:

• The steric bulk of phenyl groups dictates a distorted, near-planar geometry around the nitrogen atom.
• The observed intermolecular interactions are essential for the self-assembly of molecules into a stable two-dimensional crystalline network.
• This structural characterization provides valuable insights into the solid-state behavior of this organophosphorus compound.