3-Acetyl-1-(2,3-dichloro-phen-yl)thio-urea

Area of Science:

• Crystallography
• Chemical Physics
• Molecular Structure

Background:

• Understanding the precise arrangement of atoms in molecules is crucial for predicting chemical properties.
• Hydrogen bonding plays a significant role in molecular assembly and stability.
• The specific compound C(9)H(8)Cl(2)N(2)OS has not been previously characterized in detail.

Purpose of the Study:

• To elucidate the three-dimensional crystal structure of the title compound, C(9)H(8)Cl(2)N(2)OS.
• To identify and analyze the intermolecular and intramolecular interactions present in the crystal lattice.
• To provide a foundation for further studies on the physical and chemical properties of this compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to collect diffraction data.
• The crystal structure was solved and refined using standard crystallographic software.
• Analysis of hydrogen bonding networks (N-H⋯S and N-H⋯O) was performed.

Main Results:

• The crystal structure of C(9)H(8)Cl(2)N(2)OS was determined.
• Two molecules were found in the asymmetric unit.
• A pair of intermolecular N-H⋯S hydrogen bonds links the molecules.
• An intramolecular N-H⋯O hydrogen bond was observed, stabilizing each molecule's conformation.

Conclusions:

• The crystal structure provides definitive information on the molecular arrangement and bonding in C(9)H(8)Cl(2)N(2)OS.
• The identified hydrogen bonding patterns are key features influencing the compound's solid-state structure.
• This structural data serves as a critical reference for future research involving this chemical entity.