2,5-Dihydroxy-benzaldehyde 4-methyl-thio-semicarbazone

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the self-assembly of organic molecules is crucial in materials science.
• Hydrogen bonding plays a key role in directing crystal packing and supramolecular architecture.
• The title compound, C(9)H(11)N(3)O(2)S, presents an interesting scaffold for studying intermolecular interactions.

Purpose of the Study:

• To determine the crystal structure of the title compound, C(9)H(11)N(3)O(2)S.
• To elucidate the intermolecular interactions, specifically hydrogen bonding, governing its self-assembly.
• To characterize the resulting supramolecular architecture in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to analyze the crystal structure.
• Analysis of hydrogen bonding networks (O-H⋯S, N-H⋯O, O-H⋯N) was performed.
• The spatial arrangement of molecules in the crystal lattice was investigated.

Main Results:

• The title compound crystallizes with planar molecules.
• Supramolecular chains are formed via O-H⋯S hydrogen bonds.
• These chains assemble into a two-dimensional array mediated by N-H⋯O hydrogen bonds.
• An intramolecular O-H⋯N hydrogen bond is also observed.

Conclusions:

• The crystal structure of C(9)H(11)N(3)O(2)S is characterized by planar molecules.
• Specific hydrogen bonding interactions dictate the formation of 1D chains and 2D arrays.
• The compound exhibits interesting supramolecular assembly driven by a combination of intermolecular and intramolecular hydrogen bonds.