1'-Butyl-2-methyl-1',2,2',3,4,9-hexa-hydro-spiro-[benzo[f]isoindole-1,3'-indole]-2',4,9-trione
Summary
This study details the crystal structure of a novel organic compound, revealing planar indoline and pyrrole-fused naphtho-quinone units. Intermolecular interactions like hydrogen bonding and C-H⋯π bonds influence its solid-state arrangement.
Area of Science:
- Organic Chemistry
- Crystallography
- Materials Science
Background:
- Understanding the structure-property relationships of organic molecules is crucial for designing new materials.
- Fused heterocyclic systems, such as those incorporating indoline and naphthoquinone moieties, are of interest due to their diverse applications.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure and crystal packing of the title compound, C(24)H(22)N(2)O(3).
- To investigate the intermolecular interactions governing the solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of the crystal structure included assessing planarity, ring conformations, and intermolecular interactions (hydrogen bonding, C-H⋯π).
Main Results:
- The compound features essentially planar indoline and pyrrole-fused naphtho-quinone units with a dihedral angle of approximately 90 degrees between their mean planes.
- The pyrrole ring adopts a C-envelope conformation.
- Intermolecular C-H⋯O interactions form dimers, and the carbonyl oxygen participates in bifurcated hydrogen bonding. C-H⋯π interactions were also observed.
Conclusions:
- The study provides a detailed structural characterization of the title compound.
- The observed intermolecular interactions offer insights into the self-assembly and stability of the molecule in the solid state.
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