Journal of Molecular Structure ( IF 4.0 ) Pub Date : 2023-05-24 , DOI: 10.1016/j.molstruc.2023.135844 Bakhromjon Juraev , Zahro Oxunxo'jayeva , Akmaljon Tojiboev , Khayrulla Bobakulov , Kambarali Turgunov , Burkhon Elmuradov , Kosim Zokhidov
|
The mixture of isomeric 1-butyl-5/6-chloro-2-methyl-1H-benzo[d]imidazoles have been obtained from the butylation reacton of 5-chloro-2-methyl-1H-benzo[d]imidazole. Crystallization of hydrochlorides of product compounds resulted in monohydrated cocrystal of the isomers, structure of which have been determined by single crystal X-ray diffraction analysis. As well as the synthesized compounds and their hydrochlorides have been structurally characterized by 1H and 13C NMR spectroscopy. The crystallographic study of 1-butyl-5/6-chloro-2-methyl-1H-benzo[d]imidazoles hydrochloride monohydrate was revealed disordering the butyl part. The Hirshfeld surface analysis revealed the most contribution in the crystal packing have H∙∙∙H (50.1%) and Cl∙∙∙H/H∙∙∙Cl (32.0%) interactions.
京公网安备 11010802027423号