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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives

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(Methyl-enedinitrilo)tetra-acetonitrile.

Xiang-Hua Song¹, Mei-Li Feng, Kai Wang

¹Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

The molecular structure of C(9)H(10)N(6) features four cyano-methyl groups around a central N-CH(2)-N core. Molecules form a 3D network through intermolecular hydrogen bonds in the crystal structure.

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Area of Science:

Crystallography
Molecular Chemistry

Background:

Understanding the crystal packing and intermolecular interactions of novel organic compounds is crucial for materials science.
The N-CH(2)-N linkage offers potential for diverse chemical modifications and applications.

Purpose of the Study:

To elucidate the molecular and crystal structure of the title compound, C(9)H(10)N(6).
To investigate the intermolecular interactions governing the solid-state arrangement.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of intermolecular interactions, including hydrogen bonding, was performed.

Main Results:

The molecular structure reveals four cyano-methyl groups attached to a central N-CH(2)-N unit.
Crystal structure analysis confirmed the formation of a three-dimensional network facilitated by intermolecular C-H⋯N hydrogen bonds.

Conclusions:

The study successfully characterized the molecular and crystal structure of C(9)H(10)N(6).
The observed hydrogen bonding network provides insights into the self-assembly behavior of this compound in the solid state.