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Nomenclature of Aromatic Compounds with Multiple Substituents

Nomenclature of Aromatic Compounds with Multiple Substituents

When more than one substituent is present on the benzene ring, the IUPAC nomenclature depends on the number of substituents present.
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1,3,3-Tribenzyl-indolin-2-one.

Yufang Liu, Bo Liu, Zhenming Dong

Acta Crystallographica. Section E, Structure Reports Online

|January 6, 2012

Summary

This summary is machine-generated.

This study details the molecular structure of a novel organic compound, C(29)H(25)NO. It precisely measures the dihedral angles between the core indolin-2-one system and its attached benzene rings.

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Area of Science:

Organic Chemistry
Crystallography
Molecular Structure Analysis

Background:

Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
The indolin-2-one scaffold is a common structural motif in biologically active compounds.

Purpose of the Study:

To elucidate the precise three-dimensional structure of the novel compound C(29)H(25)NO.
To quantify the spatial relationships between the indolin-2-one core and its pendant aromatic rings.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular structure.
Analysis of the crystal structure data provided precise bond lengths, bond angles, and dihedral angles.

Main Results:

The crystal structure of C(29)H(25)NO was successfully determined.
Key dihedral angles between the indolin-2-one ring and the three attached benzene rings were measured as 62.78(9)°, 31.69(9)°, and 80.94(9)°.

Conclusions:

The determined dihedral angles provide critical insights into the molecule's conformation.
This structural information is fundamental for further studies on the compound's chemical and physical properties.