부산대학교 도서관

A new polymorph of N-tert-butyl-2-thioimidazole (1), along with its cocrystals with 1,4-diiodotetrafluorobenzene (2), tetraiodoethylene (3), and molecular iodine (4) have been synthesized. Compound 1 is a new polymorph of a previously reported structure. A series of noncovalent N-H[midline horizontal ellipsis]S, N-H[midline horizontal ellipsis]I, and I[midline horizontal ellipsis]S interactions all contribute to the packing. In 1-3, a pair of N-H[midline horizontal ellipsis]S contributes to the formation of imidazole dimers, a commonly observed motif for these systems, which are then linked together through C-I[midline horizontal ellipsis]S halogen bonding. This halogen bond occurs approximately normal to the imidazole ring plane. In 4, the addition of I.sub.2 to the sulfur atom interrupts N-H[midline horizontal ellipsis]S dimer formation, with the primary interactions between neighboring imidazole molecules being of the N-H[midline horizontal ellipsis]I and C=S[midline horizontal ellipsis]I. This variety of intermolecular interactions leads to the formation of double-stranded chains, ribbons, and sheets. Graphic Abstract A new polymorph of N-tert-butyl-2-thioimidazole, along with its cocrystals with 1,4-diiodotetrafluorobenzene, tetraiodoethylene, and molecular iodine have been synthesized. A series of noncovalent N-H[midline horizontal ellipsis]S, N-H[midline horizontal ellipsis]I, and I[midline horizontal ellipsis]S all contribute to the packing
Author(s): Andrew J. Peloquin [sup.1], Sarah C. Hill [sup.1], Hadi D. Arman [sup.1] [sup.2], Colin D. McMillen [sup.1], Daniel Rabinovich [sup.3], William T. Pennington [sup.1] [sup.4] Author Affiliations: (1) grid.26090.3d, [...]