64419-93-8Relevant articles and documents
Combined DFT calculation, Hirshfeld surface analysis, and Energy framework study of non-covalent interactions in the crystal structure of (Z)-5-ethylidene-2-thiohydantoin determined by powder X-ray diffraction
Delgado, Gerzon E.,Mora, Asiloé J.,Seijas, Luis E.,Rincón, Luis,Marroquin, Gustavo,Cisterna, Jonathan,Cárdenas, Alejandro,Brito, Iván
, (2021)
The thiohydantoin core is used in the synthesis and development of new drugs. Furthermore, the study of these materials allows us to analyze the role that non-covalent interactions play in their supramolecular structure and how they can influence their pharmacological properties. Herein, a novel thiohydantoin compound, namely (Z)-5-ethylidene-2-thiohydantoin was synthesized and characterized by FT-IR, 1H-NMR, and 13C-NMR spectroscopy. Its crystal structure was determined and refined by powder X-ray diffraction techniques. This material crystallizes in the monoclinic system with space group P21/c, Z=4. The crystal packing is controlled by N–H···O, N–H···S and C–H···O hydrogen bond interactions, forming infinite two-dimensional sheets with graph-set motifs R22(8), R12(7), and R66(26). NCI calculations, Hirshfeld surface analysis, and the Energy framework study reproduce in good agreement the crystal packing exhibited by the X-ray diffraction study.
Studies in thiohydantoin chemistry. II: C-terminal sequencing of peptides
Casagranda, Franca,Duggan, Brendan M.,Kirkpatrick, Alan,Laslett, Robert L.,Wilshire, John F.K.
, p. 551 - 560 (2007/10/03)
An investigation has been carried out into the thiocyanate degradation (AcOH/Ac2O/HSCN) procedure as it relates to the C-terminal sequencing of peptides, particular emphasis being placed on the sequencing of amino acid residues containing sensi
