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Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenyl­thia­zol-2-yl)acetamide

Two crystallographically independent mol­ecules (A and B) are present in the asymmetric unit of the title compound, C(11)H(9)IN(2)OS, 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⋯...

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Detalles Bibliográficos
Autores principales: Herrera-España, Angel D., Aguilera-González, Jesús, Mena-Rejón, Gonzalo J., Hernández-Ortega, Simón, Cáceres-Castillo, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658950/
https://www.ncbi.nlm.nih.gov/pubmed/31391952
http://dx.doi.org/10.1107/S2056989019004791
Descripción
Sumario:Two crystallographically independent mol­ecules (A and B) are present in the asymmetric unit of the title compound, C(11)H(9)IN(2)OS, 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.