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Updated: Jun 1, 2026
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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N-(Pyrazin-2-yl)-4-toluidine.
Wan Ainna Mardhiah Wan Saffiee1, Azila Idris, Zaharah Aiyub
1Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Summary
This study details the molecular structure of C(11)H(11)N(3), revealing specific angles between aromatic systems and the central amino nitrogen atom. It also identifies hydrogen bonding that leads to a chain motif in the crystal structure.
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.
- Aromatic systems and amino groups are common functional groups in pharmaceuticals and materials science.
Purpose of the Study:
- To elucidate the precise molecular geometry and intermolecular interactions of the title compound, C(11)H(11)N(3).
- To characterize the crystal packing and hydrogen bonding network within the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of crystallographic data to identify key structural features and hydrogen bonds.
Main Results:
- The two aromatic systems within the C(11)H(11)N(3) molecule exhibit a dihedral angle of 19.1(1)°.
- The central amino nitrogen atom displays a bond angle of 130.3(2)°.
- A significant intermolecular hydrogen bond was observed between the amino group and the pyrazine nitrogen (N-4) of a neighboring molecule, establishing a chain motif.
Conclusions:
- The crystal structure of C(11)H(11)N(3) is characterized by specific aromatic system inclination and amino group geometry.
- Intermolecular hydrogen bonding plays a key role in organizing the molecules into a one-dimensional chain, influencing the overall crystal packing.
