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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
2-[(Meth-oxy-carbonothio-yl)sulfan-yl]acetic acid
Shude Xiao1, Paul A Charpentier
1Dept. of Chemical and Biochemical Engineering, Faculty of Engineering, The University of Western Ontario, London, Ontario, Canada N6A 5B9.
This study details the molecular structure of a xanthate compound, C(4)H(6)O(3)S(2). Researchers observed specific bond lengths and a coplanar methyl group, with molecules forming dimers via hydrogen bonding.
Area of Science:
- Chemical Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Xanthate compounds are known for their diverse chemical properties and applications.
- Understanding the precise molecular geometry is crucial for predicting chemical reactivity and physical properties.
Purpose of the Study:
- To elucidate the detailed molecular structure of the title xanthate compound, C(4)H(6)O(3)S(2).
- To investigate the bonding characteristics within the xanthate functional group.
- To analyze the intermolecular interactions in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths (C=S vs. C-S) and bond angles.
- Identification of intermolecular interactions, specifically hydrogen bonding.
Main Results:
- The C=S double bond was found to be shorter than the C-S single bond, consistent with its chemical nature.
- The methyl group was observed to be coplanar with the xanthate functional group.
- Pairs of molecules were identified to form dimers through intermolecular O-H⋯O hydrogen bonding.
Conclusions:
- The study provides precise structural data for the title xanthate compound.
- The observed structural features, including bond characteristics and hydrogen bonding, offer insights into the compound's stability and potential interactions.
- This detailed structural information can serve as a basis for further synthetic modifications or application development.
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