meso-4,5-Diphenyl-imidazolidin-2-one

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Imidazolidine derivatives are important scaffolds in medicinal chemistry and materials science.
• Crystal structure analysis provides precise details on molecular geometry and intermolecular interactions.

Purpose of the Study:

• To determine the precise crystal structure of the title compound, C(15)H(14)N(2)O.
• To elucidate the spatial arrangement of the phenyl groups and the imidazolidine ring.
• To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed for crystal structure determination.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of bond lengths, bond angles, and intermolecular distances was performed.

Main Results:

• The crystal structure confirms a cis relationship between the phenyl groups at the 4- and 5-positions of the imidazolidine ring.
• The dihedral angle between the two phenyl rings was determined to be 48.14(6)°.
• Intermolecular N-H⋯O hydrogen bonds form centrosymmetric dimers, while N-H⋯π(arene) and π-π stacking interactions create a two-dimensional network.

Conclusions:

• The crystal structure provides definitive evidence for the cis configuration of the phenyl substituents.
• The identified hydrogen bonding and π-π stacking interactions dictate the supramolecular architecture in the solid state.
• This structural information is valuable for the design of related compounds with specific solid-state properties.