3-Acetyl-1-(4-methyl-phen-yl)thio-urea.
Summary
This study details the crystal structure of a compound C(10)H(12)N(2)OS, revealing two independent molecules with specific anti conformations and dihedral angles. Intermolecular hydrogen bonds form infinite chains in the crystal structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular conformations and intermolecular interactions is crucial in crystal engineering.
- The specific compound C(10)H(12)N(2)OS presents an interesting case for structural analysis due to its functional groups.
Purpose of the Study:
- To elucidate the crystal structure of C(10)H(12)N(2)OS.
- To analyze the molecular conformations and hydrogen bonding patterns within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond conformations, dihedral angles, and hydrogen bond networks was performed.
Main Results:
- The asymmetric unit contains two independent molecules of C(10)H(12)N(2)OS.
- Both molecules exhibit anti conformations for N-H, C=S, and C=O bonds.
- Intramolecular N-H⋯O hydrogen bonds are present, and intermolecular N-H⋯O and N-H⋯S bonds form infinite chains along the a-axis.
Conclusions:
- The crystal structure of C(10)H(12)N(2)OS is characterized by specific molecular conformations and extensive intermolecular hydrogen bonding.
- The observed hydrogen bonding network dictates the formation of one-dimensional chains in the solid state.
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