2-Hydr-oxy-5-nitro-benzaldehyde thio-semicarbazone

Area of Science:

• Crystal chemistry
• Solid-state chemistry
• Supramolecular chemistry

Background:

• Understanding molecular interactions is crucial for materials science.
• Hydrogen bonding plays a key role in the self-assembly of molecules.
• The study of organic compounds with sulfur and nitrogen offers insights into novel material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(8)N(4)O(3)S.
• To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
• To characterize the resulting three-dimensional network formed by the molecules.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks (O-H⋯S, N-H⋯S, N-H⋯O) was performed.
• Geometric parameters of the planar molecule and hydrogen bonds were analyzed.

Main Results:

• The molecule C(8)H(8)N(4)O(3)S was confirmed to be planar.
• Adjacent molecules are interconnected via a network of O-H⋯S, N-H⋯S, and N-H⋯O hydrogen bonds.
• These interactions result in the formation of an extended three-dimensional supramolecular architecture.

Conclusions:

• The planar nature of the molecule dictates its packing in the solid state.
• The identified hydrogen bonding patterns are responsible for the formation of a robust 3D network.
• This structural characterization provides a foundation for understanding the physical and chemical properties of the compound.