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N-Benzyl-isatin.

M Schutte, H G Visser, A Roodt

Acta Crystallographica. Section E, Structure Reports Online

|March 14, 2012

Summary

This summary is machine-generated.

The crystal structure of C(15)H(11)NO(2) reveals specific intermolecular interactions. Analysis shows near-planar ring systems with a significant dihedral angle, indicating unique molecular packing in the solid state.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Understanding molecular interactions in the solid state is crucial for predicting material properties.
The compound C(15)H(11)NO(2) presents an interesting scaffold for studying intermolecular forces.

Purpose of the Study:

To elucidate the crystal structure and intermolecular interactions of C(15)H(11)NO(2).
To analyze the planarity of aromatic systems and their spatial arrangement within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
Analysis of hydrogen bonding and π-π stacking interactions was performed.

Main Results:

The crystal structure exhibits two significant C-H⋯O hydrogen bonds.
π-π stacking interactions were identified with a centroid-centroid distance of 3.623(2) Å.
The phenyl and fused-benzene rings are nearly planar, with a dihedral angle of 77.65(9)° between them.

Conclusions:

The observed hydrogen bonds and π-π stacking influence the crystal packing of C(15)H(11)NO(2).
The near-planar nature of the ring systems and their dihedral angle dictate the molecule's conformation in the solid state.