Back to Search Start Over

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro-phen-yl)-2-formyl-7-methyl-imidazo[1,2- a ]pyridin-1-ium chloride monohydrate.

Authors :
Guseinov FI
Ovsyannikov VO
Sokolovskiy PV
Sebyakin YL
Samigullina AI
Akkurt M
Çelikesir ST
Bhattarai A
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Sep 12; Vol. 79 (Pt 10), pp. 899-904. Date of Electronic Publication: 2023 Sep 12 (Print Publication: 2023).
Publication Year :
2023

Abstract

In the title salt, C <subscript>15</subscript> H <subscript>12</subscript> FN <subscript>2</subscript> O <superscript>+</superscript> ·Cl <superscript>-</superscript> ·H <subscript>2</subscript> 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 fluoro-phenyl ring. In the crystal, water mol-ecules form an R <subscript>2</subscript> <superscript>4</superscript> (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.<br /> (© Guseinov et al. 2023.)

Details

Language :
English
ISSN :
2056-9890
Volume :
79
Issue :
Pt 10
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
37817960
Full Text :
https://doi.org/10.1107/S2056989023007272