Author: A. Hasu

0000000000489601

AUTHOR

A. Hasu

Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds

Four interhalogen complexes of heterocyclic thione ligands N-methylbenzothiazole-2-thione (mbtt) and 2(3)H-benzothiazole-thione (btt) with strong and tunable S⋯I halogen bonds were synthesized and characterized by X-ray single crystal diffraction. The study of the strength and nature of the interactions was supported by computational analysis using the Quantum Theory of Atoms in Molecules (QTAIM). Halogen bond and hydrogen bond directed self-assemblies of thione compounds were efficiently modified by the changes in the halogen bond donor and acceptor structures. In structures [(mbtt)ICl] (1) and [(mbtt)IBr] (2) the interplay of halogen bonds and hydrogen bonds between the thione hydrogens a…

research product

CCDC 1034603: Experimental Crystal Structure Determination

Related Article: L. Koskinen, P. Hirva, A. Hasu, S. Jääskeläinen, J. Koivistoinen, M. Pettersson, M. Haukka|2015|CrystEngComm|17|2718|doi:10.1039/C4CE02449D

research product

CCDC 1034601: Experimental Crystal Structure Determination

Related Article: L. Koskinen, P. Hirva, A. Hasu, S. Jääskeläinen, J. Koivistoinen, M. Pettersson, M. Haukka|2015|CrystEngComm|17|2718|doi:10.1039/C4CE02449D

research product

CCDC 1034600: Experimental Crystal Structure Determination

Related Article: L. Koskinen, P. Hirva, A. Hasu, S. Jääskeläinen, J. Koivistoinen, M. Pettersson, M. Haukka|2015|CrystEngComm|17|2718|doi:10.1039/C4CE02449D

research product

CCDC 1034602: Experimental Crystal Structure Determination

Related Article: L. Koskinen, P. Hirva, A. Hasu, S. Jääskeläinen, J. Koivistoinen, M. Pettersson, M. Haukka|2015|CrystEngComm|17|2718|doi:10.1039/C4CE02449D

research product

PEPhysical Sciences and Engineering
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