1.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 6): 717-720, 2019 Jun 01.
Artículo
en Inglés
| MEDLINE
| ID: mdl-31391952
RESUMEN
Two crystallographically independent mol-ecules (A and B) are present in the asymmetric unit of the title compound, C11H9IN2OS, which differ mainly in the dihedral angle between the phenyl and thia-zole rings [38.94â (16) and 32.12â (15)°, respectively]. In the crystal, the mol-ecules form â¯Aâ¯Bâ¯Aâ¯B⯠chains along the [001] and [010] directions through moderate N-Hâ¯O hydrogen bonds and C-Hâ¯π inter-actions, respectively. The overall three-dimensional network is formed by Iâ¯I and Iâ¯S inter-actions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Hâ¯C/Câ¯H (26.2%), Hâ¯H (20.9%), Hâ¯I/Iâ¯H (19.4%) and Hâ¯O/Oâ¯H (6.8%) inter-actions.