N-(4-Chloro-phen-yl)maleimide

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding molecular interactions is key to predicting material properties.
• Crystal engineering utilizes non-covalent interactions to design functional materials.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(10)H(6)ClNO(2).
• To analyze the intermolecular interactions, specifically hydrogen bonding, governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks using graph-set motifs and bond distances.

Main Results:

• The dihedral angle between the benzene and maleimide rings is 47.54(9)°.
• Centrosymmetric dimers formed via C-H⋯O hydrogen bonds create R(2)(2)(8) rings.
• Chains along the [100] direction and edge-fused R(4)(4)(24) rings formed by C-H⋯O and C-H⋯Cl interactions.

Conclusions:

• The crystal structure is stabilized by a combination of C-H⋯O and C-H⋯Cl hydrogen bonds.
• These interactions lead to the formation of complex supramolecular architectures, including dimers, chains, and fused rings.
• The detailed structural analysis provides insights into the solid-state behavior of this compound.