Dichloro-phosphinic bis-(2-chloro-eth-yl)amide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• The study investigates the molecular structure of a specific chemical compound, C4H8Cl4NOP.
• Understanding the spatial arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To determine and describe the three-dimensional structure of the title compound, C4H8Cl4NOP.
• To analyze the conformation of the chloro-ethyl groups within the molecule and identify any differences.

Main Methods:

• Single-crystal X-ray diffraction was employed to elucidate the crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles was performed to describe the molecular geometry.

Main Results:

• The two chloro-ethyl groups in C4H8Cl4NOP are not symmetrically equivalent.
• Significant differences in the N-C-C-Cl torsion angles (64.57(15)° and 175.62(10)°) indicate distinct conformations of these groups.

Conclusions:

• The crystal structure analysis confirms the asymmetric nature of the chloro-ethyl substituents in C4H8Cl4NOP.
• The observed conformational differences are a key feature of this molecule's solid-state structure.