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

Area of Science:

• Crystallography
• Molecular structure determination
• Supramolecular chemistry

Background:

• Understanding molecular interactions is key in crystal engineering.
• Hydrogen bonding plays a crucial role in the self-assembly of molecules.
• The specific compound C(9)H(11)N(3)O(2)S has not been previously characterized in terms of its solid-state structure.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(9)H(11)N(3)O(2)S.
• To identify and analyze the intermolecular and intramolecular interactions present in the crystal lattice.
• To understand the self-assembly behavior driven by hydrogen bonding.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks, including O-H⋯S and N-H⋯O interactions.
• Identification of intramolecular O-H⋯N hydrogen bonds.

Main Results:

• The title compound, C(9)H(11)N(3)O(2)S, crystallizes in a structure where the molecule is approximately planar.
• A zigzag chain is formed through intermolecular O-H⋯S hydrogen bonds between adjacent molecules.
• These chains are further organized into a two-dimensional array via 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 a combination of intermolecular O-H⋯S and N-H⋯O hydrogen bonds, leading to a 2D array.
• The presence of both intermolecular and intramolecular hydrogen bonds dictates the supramolecular architecture.
• This study provides fundamental insights into the crystal engineering of this class of compounds.