Lee, See Mun * and Ainnul H. S. Azizan, * and Lo, Kong Mun * and Tan, Sang Loon * and Tiekink, Edward R. T. * (2019) 2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid. Molbank, 2019 (4). M1082. ISSN 1422-8599
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Abstract
The title compound, (iPr)2NC(=S)SCH2C(=O)OH (1), was synthesized by conventional methods and its X-ray crystal structure was determined by X-ray crystallography. The compound was further characterized by analytical, IR, UV, 1D NMR (1H and 13C{1H}), and 2D NMR (DEPT135) spectroscopy, and density functional theory (DFT) methods. X-ray crystallography on 1 confirms the formulation and reveals a nearly orthogonal relationship between the planar NCS2 and C2O2 residues. In the crystal, hydroxyl-O–H⋯O(carbonyl) hydrogen bonds lead dimers via an eightmembered {⋯OCOH}2 ring.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | dithiocarbamate ester; carboxylic acid; hydrogen bonding; X-ray crystallography; DFT |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Sunway University > School of Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021 |
| Depositing User: | Dr Janaki Sinnasamy |
| Related URLs: | |
| Date Deposited: | 25 Nov 2019 03:14 |
| Last Modified: | 12 Oct 2020 07:22 |
| URI: | http://eprints.sunway.edu.my/id/eprint/1127 |
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