New organic single crystal of (benzylthio)acetic acid: Synthesis, crystal structure, spectroscopic (ATR-FTIR, 1H and 13C NMR) and thermal characterization
| Autor: | Liliana Mazur, Bogdan Tarasiuk, Justyna Sienkiewicz-Gromiuk |
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| Rok vydání: | 2016 |
| Předmět: |
010405 organic chemistry
Chemistry Organic Chemistry Thermal decomposition Inorganic chemistry Crystal structure Carbon-13 NMR 010402 general chemistry 01 natural sciences 0104 chemical sciences Analytical Chemistry Inorganic Chemistry Crystallography chemistry.chemical_compound Acetic acid Benzyl chloride Thiourea Single crystal Spectroscopy Powder diffraction |
| Zdroj: | Journal of Molecular Structure. 1110:65-71 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2016.01.016 |
| Popis: | (Benzylthio)acetic acid (Hbta) was synthesized with 78% yield from benzyl chloride and thiourea as substrates. Well-shaped crystals of Hbta were grown by slow solvent evaporation technique from pure methanol. The compound was investigated by single-crystal X-ray and powder diffraction techniques and was also characterized by other analytical methods, like ATR-FTIR, 1H and 13C NMR and TG/DSC. The acid molecule adopts bent conformation in the solid state. The crystal structure of Hbta is stabilized by numerous intermolecular interactions, including O–H···O, C–H···O, C–H···S and C–H···π contacts. Thermal decomposition of the obtained material takes place above 150 °C. |
| Databáze: | OpenAIRE |
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