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Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate

In the title salt, C(15)H(12)FN(2)O(+)·Cl(−)·H(2)O, the imidazo[1,2-a]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = −0.047 (2) Å for the ring C atom with the attached arene ring] and forms a dihedral angle of 61.81 (6)° with the plane of the fluoro­phenyl ring. In...

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Detalles Bibliográficos
Autores principales: Guseinov, Firudin I., Ovsyannikov, Viacheslav O., Sokolovskiy, Pavel V., Sebyakin, Yurii L., Samigullina, Aida I., Akkurt, Mehmet, Çelikesir, Sevim Türktekin, Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561212/
https://www.ncbi.nlm.nih.gov/pubmed/37817960
http://dx.doi.org/10.1107/S2056989023007272
Descripción
Sumario:In the title salt, C(15)H(12)FN(2)O(+)·Cl(−)·H(2)O, the imidazo[1,2-a]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = −0.047 (2) Å for the ring C atom with the attached arene ring] and forms a dihedral angle of 61.81 (6)° with the plane of the fluoro­phenyl ring. In the crystal, water mol­ecules form an R (2) (4)(8) motif parallel to the (100) plane by bonding with the chloride ions via O—H⋯Cl hydrogen bonds. The cations are connected along the b axis via N—H⋯O hydrogen bonds involving the O atoms of water mol­ecules, and C—H⋯O, C—H⋯Cl and π–π inter­actions [centroid-to-centroid distance = 3.6195 (8) Å] form layers parallel to the (100) plane. Furthermore, these layers are connected via π–π inter­actions [centroid-to-centroid distance = 3.8051 (9) Å] that further consolidate the crystal structure.