1,3,3-Trimethyl-5-nitro-1-phenyl-indane.
Summary
This study details the molecular structure of a novel organic compound, C(18)H(19)NO(2). The research reveals specific conformational details of its indane fragment and the spatial orientation of its nitro and phenyl groups.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- The indane framework is a common motif in various biologically active compounds.
Purpose of the Study:
- To elucidate the precise molecular geometry and conformation of the title compound, C(18)H(19)NO(2).
- To analyze the spatial arrangement of functional groups within the molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational insights.
Main Results:
- The five-membered ring of the indane fragment exhibits an envelope conformation.
- The nitro group is nearly coplanar with the indane benzene ring (dihedral angle 5.3°).
- A significant twist exists between the phenyl ring and the indane benzene ring (dihedral angle 76.7°).
Conclusions:
- The study provides a detailed crystallographic description of C(18)H(19)NO(2).
- The observed conformation and group orientations offer insights into potential intermolecular interactions and reactivity.
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