2-{[Bis(propan-2-yl)carbamothioyl]sulfanyl}acetic acid
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 (DEPT-135) 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 eight-membered {⋯OCOH}2 ring.
2019 ◽
2012 ◽
Vol 69
(1)
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pp. 61-65
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2015 ◽
Vol 11
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pp. 2179-2188
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Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study
2017 ◽
Vol 253
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pp. 15-20
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1998 ◽
Vol 120
(44)
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pp. 11323-11334
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2000 ◽
Vol 40
(3-4)
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pp. 343-355
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