Title of article :
Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide
Author/Authors :
Herrera-España, Angel D. Centro de Investigaciones Químicas, Instituto de Investigación en Ciencias Básicas y Aplicadas - Universidad Autónoma del Estado de Morelos, Mexico , Aguilera-González, Jesús Facultad de Química - Universidad Autónoma de Yucatán, Yucatán, Mexico , Mena-Rejón, Gonzalo J. Facultad de Química - Universidad Autónoma de Yucatán, Mexico , Hernández-Ortega, Simón Instituto de Química - Universidad Nacional Autónoma de México - Circuito Exterior - Ciudad Universitaria,Mexico , Cáceres-Castillo, David Facultad de Química - Universidad Autónoma de Yucatán, Mexico
Abstract :
Two crystallographically independent molecules (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 thiazole rings [38.94 (16) and 32.12 (15)°, respectively]. In the crystal, the molecules form ⋯A⋯B⋯A⋯B⋯ chains along the [001] and [010] directions through moderate N—H⋯O hydrogen bonds and C—H⋯π interactions, respectively. The overall three-dimensional network is formed by I⋯I and I⋯S interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯C/C⋯H (26.2%), H⋯H (20.9%), H⋯I/I⋯H (19.4%) and H⋯O/O⋯H (6.8%) interactions.
Keywords :
crystal structure , 1,3-thiazole , Hirshfeld Surface , hydrogen bonds , I⋯I and I⋯S interactions
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
