1,4-Dichloro-2,3-bis-(chloro-meth-yl)butane

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Geometry

Background:

• Understanding molecular conformations is crucial for predicting chemical properties.
• Halogenated alkanes exhibit diverse structural behaviors.
• Intermolecular interactions influence crystal packing and material properties.

Purpose of the Study:

• To elucidate the precise geometric arrangement of the title compound, C6H10Cl4.
• To investigate the presence and significance of intramolecular and intermolecular C-H⋯Cl contacts.
• To describe the three-dimensional crystal architecture.

Main Methods:

• X-ray crystallography was employed to determine the molecular structure.
• Analysis of bond orientations (anti-periplanar relationships) was performed.
• Identification and characterization of hydrogen bonding (C-H⋯Cl contacts) were conducted.

Main Results:

• The C6H10Cl4 molecule adopts a specific conformation with C-Cl bonds oriented anti-periplanar to C-H and C-C bonds.
• Intramolecular C-H⋯Cl contacts were observed despite minimized steric repulsion.
• A three-dimensional crystal network is formed through intermolecular C-H⋯Cl contacts.

Conclusions:

• The determined structure of C6H10Cl4 highlights a balance between minimizing steric hindrance and forming stabilizing C-H⋯Cl interactions.
• These interactions play a significant role in dictating the solid-state packing and overall crystal architecture.
• The findings contribute to the understanding of halogenated hydrocarbon structures and intermolecular forces.