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Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study details the molecular structure of C(13)H(14)O(3)S(2), revealing a specific dihedral angle between its thiophene and benzene rings. Molecules are linked by hydrogen bonds, forming crystal layers.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial.
- The study of intermolecular forces, such as hydrogen bonding, influences crystal packing and material properties.
Purpose of the Study:
- To elucidate the precise molecular geometry of the title compound, C(13)H(14)O(3)S(2).
- To investigate the intermolecular interactions governing the crystal structure of this molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and torsion angles provided detailed structural information.
Main Results:
- The dihedral angle between the thiophene and benzene rings was determined to be 13.86°.
- Weak intermolecular C-H⋯O hydrogen bonds were identified, directing the assembly of molecules into layers parallel to the ab plane.
Conclusions:
- The crystal structure is stabilized by a network of weak C-H⋯O hydrogen bonds.
- The observed molecular conformation and packing arrangement provide insights into the solid-state behavior of this class of compounds.
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