4-[Bis(1H-indol-3-yl)meth-yl]benzonitrile
Xiang Deng1, Di Wu, Xiaomei Huang
1Department of Chemistry and Chemical Engineering, Sichuan University of Arts and Science, Sichuan Key Laboratory of Characteristic Plant Development Research, Sichuan Dazhou 635000, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study analyzes the molecular structure of C(24)H(17)N(3), detailing dihedral angles between its indole and benzene rings. It reveals how intermolecular hydrogen bonds create sheet-like crystal structures.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The specific compound C(24)H(17)N(3) presents a complex structure with multiple aromatic ring systems.
Purpose of the Study:
- To determine the precise dihedral angles between the indole and benzene ring systems in the C(24)H(17)N(3) molecule.
- To investigate the intermolecular interactions and crystal packing of C(24)H(17)N(3).
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular and crystal structure.
- Dihedral angles between the mean planes of the aromatic ring systems were calculated.
Main Results:
- The dihedral angles between the indole ring systems and the benzene ring were found to be approximately 86.44° and 86.96°.
- A significant dihedral angle of 72.08° was observed between the two indole ring systems.
- Intermolecular bifurcated hydrogen bonds of the (N-H)⋯N type were identified, linking molecules into sheets parallel to the (010) plane.
Conclusions:
- The C(24)H(17)N(3) molecule adopts a non-planar conformation with specific dihedral angles between its aromatic components.
- The crystal structure is stabilized by a network of intermolecular hydrogen bonds, leading to a layered arrangement.
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