Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro-phen-yl)-2-formyl-7-methyl-imidazo1,2-apyridin-1-ium chloride monohydrate

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 79; no. Pt 10; p. 899
• Main Authors: Guseinov, Firudin I, Ovsyannikov, Viacheslav O, Sokolovskiy, Pavel V, Sebyakin, Yurii L, Samigullina, Aida I, Akkurt, Mehmet, Çelikesir, Sevim Türktekin, Bhattarai, Ajaya
• Format: Journal Article
• Language: English
• Published: 01-10-2023
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989023007272

In the title salt, C15H12FN2O+·Cl-·H2O, 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 fluoro-phenyl ring. In the crystal, water mol-ecules 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 mol-ecules, and C-H⋯O, C-H⋯Cl and π-π inter-actions [centroid-to-centroid distance = 3.6195 (8) Å] form layers parallel to the (100) plane. Furthermore, these layers are connected via π-π inter-actions [centroid-to-centroid distance = 3.8051 (9) Å] that further consolidate the crystal structure.In the title salt, C15H12FN2O+·Cl-·H2O, 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 fluoro-phenyl ring. In the crystal, water mol-ecules 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 mol-ecules, and C-H⋯O, C-H⋯Cl and π-π inter-actions [centroid-to-centroid distance = 3.6195 (8) Å] form layers parallel to the (100) plane. Furthermore, these layers are connected via π-π inter-actions [centroid-to-centroid distance = 3.8051 (9) Å] that further consolidate the crystal structure.