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Updated: Jun 1, 2026
06:52
Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile
Published on: October 30, 2018
2-[(Isopropoxycarbonothio-yl)sulfanyl]-acetic acid
Shude Xiao1, Paul A Charpentier
1Deptartment of Chemical and Biochemical Engineering, Faculty of Engineering, The University of Western Ontario, London, Ontario, Canada N6A 5B9.
Summary
This study details the molecular structure of C(6)H(10)O(3)S(2), revealing a planar carbon atom bonded to oxygen and sulfur. Dimers form via hydrogen bonding, showcasing distinct C-S bond lengths.
Area of Science:
- Crystallography
- Chemical structure analysis
Background:
- Understanding molecular geometry and intermolecular forces is crucial in chemistry.
- Sulfur-containing organic compounds exhibit diverse structural motifs and reactivity.
Purpose of the Study:
- To elucidate the crystal structure and bonding characteristics of the title compound C(6)H(10)O(3)S(2).
- To investigate the intermolecular interactions, specifically hydrogen bonding, in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts was performed.
Main Results:
- The crystal structure reveals a planar carbon atom bonded to one oxygen and two sulfur atoms.
- A distinct difference in C-S single and double bond lengths was observed.
- Two molecules associate via an O-H⋯O hydrogen bond around a center of inversion, forming a dimer.
Conclusions:
- The compound C(6)H(10)O(3)S(2) exhibits specific structural features including a planar C atom and variable C-S bond lengths.
- Intermolecular hydrogen bonding plays a significant role in the self-assembly of these molecules into dimers in the crystal lattice.
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