1',1''-Dimethyl-4'-phenyl-dispiro-[11H-indeno-[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-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.
• The study of non-covalent interactions, such as hydrogen bonds and van der Waals forces, is essential for comprehending crystal packing and material properties.

Purpose of the Study:

• To elucidate the crystal structure and molecular conformation of the compound C30H28N4O.
• To investigate the intermolecular interactions and supramolecular assembly in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
• Analysis of bond lengths, bond angles, and dihedral angles characterized the molecular geometry.
• Intermolecular interactions were identified and analyzed using geometric criteria.

Main Results:

• The central pyrrolidine ring exhibits an envelope conformation.
• The quinoxaline and indene ring systems are planar, with minimal root-mean-square deviations.
• Dihedral angles indicate a near-orthogonal relationship between the pyrrolidine ring and the planar systems.
• Intramolecular C-H⋯N interaction and intermolecular C-H⋯O interactions were observed.
• Helical supramolecular chains along the b axis were formed via C(9) motifs.

Conclusions:

• The crystal structure of C30H28N4O is characterized by a specific non-planar pyrrolidine ring and planar aromatic systems.
• Intermolecular hydrogen bonding dictates the formation of one-dimensional helical supramolecular chains in the crystal lattice.