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Updated: Jun 1, 2026
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Nucleoside Triphosphates - From Synthesis to Biochemical Characterization
Published on: April 3, 2014
2-Methyl-2-(2-pyrid-yl)hexa-hydro-pyrimidine
1Department of Chemistry, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia.
Summary
This study reveals the chair conformation of a hexa-hydro-pyrimidine ring in a novel compound. Intermolecular hydrogen bonding forms helical chains within the crystal structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
- Hexa-hydro-pyrimidine derivatives are important scaffolds in medicinal chemistry and materials science.
- Detailed structural analysis provides insights into intermolecular interactions and crystal packing.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C(10)H(15)N(3).
- To investigate the nature of intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To describe the resulting supramolecular architecture formed by these interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
- Analysis of bond lengths, bond angles, and conformational parameters described the molecular geometry.
- Intermolecular interactions, including hydrogen bonds, were identified and characterized.
Main Results:
- The hexa-hydro-pyrimidine ring adopts a chair conformation, with pyramidally coordinated nitrogen atoms.
- A significant intermolecular hydrogen bond was observed between an amido -NH group and a pyridyl nitrogen atom.
- These hydrogen bonds link molecules into a helical chain structure along the b axis of the ortho-rhom-bic unit cell.
Conclusions:
- The study provides a detailed structural characterization of the title compound.
- The observed helical chain formation highlights the role of specific intermolecular interactions in directing crystal packing.
- This structural insight can inform the design of new materials with tailored properties.
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