2,2-Bis(4-but-oxy-phen-yl)-1,1,1-trichloro-ethane

Area of Science:

• Crystallography
• Organic Chemistry
• Insecticide Development

Background:

• Insecticidal compounds often feature substituted phenyl rings.
• Methoxychlor is a known insecticide with a methoxy-phenyl structure.
• Understanding structural variations can inform the development of new pesticides.

Purpose of the Study:

• To elucidate the crystal structure of the 4-butoxy-phenyl analogue of methoxychlor.
• To analyze the spatial arrangement of the compound's structural components.
• To investigate potential intramolecular interactions influencing the compound's properties.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• The crystal structure was analyzed to identify key bond lengths, angles, and intermolecular interactions.
• The dihedral angle between the two benzene rings was precisely measured.

Main Results:

• The crystal structure of C(22)H(27)Cl(3)O(2) was successfully determined.
• A notable dihedral angle of 79.61(11)° was observed between the two benzene rings.
• An intramolecular aromatic C-H⋯Cl interaction was identified within the crystal structure.

Conclusions:

• The determined structure provides a detailed molecular model for the butoxy-phenyl analogue.
• The observed dihedral angle and intramolecular interaction offer insights into the compound's conformation.
• This structural information is valuable for understanding structure-activity relationships in related insecticidal compounds.