2-Amino-pyrimidinium dihydrogen phosphate monohydrate
Summary
This study details the crystal structure of a compound containing 2-amino-pyrimidinium cations and phosphate anions. The research reveals a layered network formed by hydrogen bonds and electrostatic interactions, providing insights into crystal cohesion.
Area of Science:
- Crystallography
- Materials Science
- Supramolecular Chemistry
Background:
- Understanding the crystal structure of organic-inorganic compounds is crucial for developing new materials.
- Hydrogen bonding plays a significant role in dictating the architecture of crystalline solids.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(4)H(6)N(3)(+)·H(2)O(4)P(-)·H(2)O.
- To investigate the role of hydrogen bonding and other interactions in stabilizing the crystal network.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
- Analysis of hydrogen bonding networks and intermolecular interactions was performed.
Main Results:
- The pyrimidinium ring exhibits planarity.
- Symmetry-related phosphate anions form centrosymmetric clusters linked by O-H⋯O hydrogen bonds.
- Water molecules bridge these clusters into infinite layers parallel to the ab plane.
- 2-amino-pyrimidinium cations form infinite chains along the a-axis.
- These chains interact with the inorganic layer via N-H⋯O, C-H⋯O, and C-H⋯N hydrogen bonds, alongside electrostatic and van der Waals forces.
Conclusions:
- The crystal structure is characterized by a robust 3D network formed by interconnected layers and chains.
- Hydrogen bonding and electrostatic interactions are key drivers for the stability and cohesion of the crystal structure.
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