4-Hydrazino-2-(methyl-sulfan-yl)-pyrimidine

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the intermolecular forces that dictate crystal packing is crucial for designing materials with specific properties.
• Hydrogen bonding plays a significant role in the self-assembly of molecules into ordered structures.
• The compound C(5)H(8)N(4) presents an opportunity to investigate novel supramolecular architectures.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(5)H(8)N(4).
• To characterize the hydrogen bonding network and supramolecular organization within the crystal lattice.
• To identify the types of motifs responsible for the observed dimensionality of the structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional atomic arrangement.
• Analysis of intermolecular interactions, specifically N-H⋯N hydrogen bonds, was performed.
• Topological analysis was used to identify and classify the observed supramolecular motifs.

Main Results:

• The crystal structure of C(5)H(8)N(4) was successfully determined.
• Centrosymmetric dimers were identified, linked by pairs of N-H⋯N hydrogen bonds.
• A two-dimensional array was formed through further N-H⋯N linkages, featuring wave-like supramolecular chains interconnected by R(2)(2)(8) ring motifs.

Conclusions:

• The crystal structure of C(5)H(8)N(4) exhibits a well-defined supramolecular architecture driven by hydrogen bonding.
• The observed R(2)(2)(8) ring motifs are key to the formation of the 2D array and the overall structural organization.
• This detailed structural understanding provides a foundation for potential applications in crystal engineering and materials design.