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Updated: Jun 1, 2026
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Synthesis of Information-bearing Peptoids and their Sequence-directed Dynamic Covalent Self-assembly
Published on: February 6, 2020
2-[(E)-(Dimethyl-amino)methyl-ene-amino]benzonitrile
Xia Wei1, Daxin Shi, Yanqiu Fan
1School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
Summary
The crystal structure of a novel compound reveals a nearly planar amidine group. This molecular geometry is influenced by the benzene ring
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding molecular geometry is crucial in organic chemistry.
- Amidine functional groups are important in various chemical and biological systems.
- Previous studies have explored the structural properties of amidine derivatives.
Purpose of the Study:
- To elucidate the precise three-dimensional structure of the title compound, C(10)H(11)N(3).
- To investigate the planarity of the amidine unit and its substituents.
- To determine the spatial relationship between the benzene ring and the amidine group.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- The crystal structure was solved and refined to determine atomic coordinates.
- Geometric parameters, including bond lengths, bond angles, and dihedral angles, were calculated.
Main Results:
- The amidine unit within C(10)H(11)N(3), including methyl substituents, exhibits near planarity (maximum deviation of 0.016 Å).
- A significant dihedral angle of 46.5° was observed between the plane of the benzene ring and the amidine group.
- The molecular structure was accurately determined with high precision.
Conclusions:
- The title compound possesses a specific molecular conformation with a nearly planar amidine moiety.
- The observed dihedral angle indicates a notable twist between the aromatic ring and the amidine functional group.
- This structural information contributes to the understanding of amidine chemistry and crystal engineering.
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