(4-Ethenylphen-yl)diphenyl-phosphine selenide

Area of Science:

• Organophosphorus Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organophosphorus compounds is crucial for predicting their reactivity and properties.
• Crystal packing and intermolecular interactions significantly influence a molecule's solid-state behavior.

Purpose of the Study:

• To elucidate the detailed molecular geometry and crystal structure of the title molecule, C(10)H(17)PSe.
• To analyze the steric and electronic environment around the phosphorus atom.
• To investigate the intermolecular interactions present in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into the geometry.
• Identification of non-covalent interactions, such as C-H⋯π bonds, was performed.

Main Results:

• The phosphorus atom in C(10)H(17)PSe exhibits a distorted tetrahedral geometry, with an effective cone angle of 165°.
• Specific dihedral angles were measured: 70.04(8)° and 77.28(8)° between the benzene ring and phenyl rings, and 62.95(8)° between the phenyl rings.
• C-H⋯π interactions were identified as the primary intermolecular forces linking the molecules in the crystal lattice.

Conclusions:

• The study provides a comprehensive structural characterization of C(10)H(17)PSe.
• The observed molecular geometry and intermolecular interactions offer insights into the compound's potential applications in areas like catalysis or materials science.
• The C-H⋯π interactions play a significant role in the crystal packing of this organophosphorus selenide.