2-Amino-pyrimidinium hydrogen sulfate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the self-assembly of molecular components is crucial for designing novel materials.
• Hydrogen bonding plays a pivotal role in dictating crystal packing and network formation.
• The study of organic salts provides insights into intermolecular interactions and structural diversity.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(4)H(6)N(3) (+)·HSO(4) (-).
• To investigate the hydrogen bonding patterns and network formation within the crystal lattice.
• To characterize the supramolecular architecture arising from the interactions between cations and anions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
• Analysis of hydrogen bond donors and acceptors was performed to identify key intermolecular interactions.
• Crystal structure visualization tools were used to illustrate the network formation.

Main Results:

• Hydrogen sulfate anions form one-dimensional chains via O-H⋯O hydrogen bonds along the b axis.
• 2-amino-pyrimidinium cations form centrosymmetric pairs through N-H⋯N hydrogen bonds.
• A two-dimensional network parallel to the (10[Formula: see text]) plane is formed by linking cation pairs and anions via N-H⋯O hydrogen bonds.
• Weak C-H⋯O interactions contribute to the formation of an overall three-dimensional supramolecular network.

Conclusions:

• The crystal structure reveals a complex interplay of hydrogen bonding leading to hierarchical network formation.
• The observed structural motifs highlight the importance of both strong and weak interactions in crystal engineering.
• This study provides a detailed understanding of the supramolecular assembly in the title organic salt.