404583-24-0Relevant academic research and scientific papers
Intramolecular hypervalent CO...S interactions in a series of 1,3-benzothiazole derivatives
Navarrete-Vazquez, Gabriel,Alaniz-Palacios, Alfredo,Tlahuextl, Margarita,Bernal-Uruchurtu, Margarita,Tlahuext, Hugo
experimental part, p. 1256 - 1263 (2012/08/07)
Seven compounds derived from 2-(4-chlorophenoxy)-2-methylpropionic acid and 2-aminobenzothiazole, 2-amino-6-methylbenzothiazole, 2-amino-6- methoxybenzothiazole, 2-amino-6-ethoxybenzothiazole, 2-amino-6- chlorobenzothiazole, 2-amino-6-nitrobenzothiazole, and 2-amino-6- (methylsulfonyl) benzothiazole have been prepared and structurally characterized. This set of 1,3-benzothiazole derivatives (1-7) has been studied by means of elemental analysis, mass spectrometry, IR, NMR (1H, 13C) spectroscopy, and single-crystal X-ray diffraction analysis. This work focuses on the description of the hypervalent contacts (CO...S, S...S), hydrogen bonds Y-H...X (Y = O, N, C; X = O, N, Cl, π) and van der Waals contacts (Cl...π, S...π, H...H) that are found to be the driving forces for the supramolecular arrangements present in the crystal structures.
