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Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one

In the title compound, C(6)H(8)N(2)OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming R (2) (2)(8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers...

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Detalles Bibliográficos
Autores principales: Huseynov, Elnur Z., Akkurt, Mehmet, Brito, Ivan, Bhattarai, Ajaya, Rzayev, Rovnag M., Asadov, Khammed A., Maharramov, Abel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561208/
https://www.ncbi.nlm.nih.gov/pubmed/37817958
http://dx.doi.org/10.1107/S2056989023007181
Descripción
Sumario:In the title compound, C(6)H(8)N(2)OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming R (2) (2)(8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol­ecular packing, these layers are connected by C—H⋯π inter­actions between the center of the 1,3-thia­zole ring and the H atom of the methyl group attached to it, as well as C=O⋯π inter­actions between the center of the 1,3-thia­zole ring and the O atom of the carboxyl group. According to a Hirshfeld surface study, H⋯H (37.6%), O⋯H/H⋯O (16.8%), S⋯H/H⋯S (15.4%), N⋯H/H⋯N (13.0%) and C⋯H/H⋯C (7.6%) inter­actions are the most significant contributors to the crystal packing.