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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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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
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author Guseinov, Firudin I.
Ovsyannikov, Viacheslav O.
Sokolovskiy, Pavel V.
Sebyakin, Yurii L.
Samigullina, Aida I.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
author_facet Guseinov, Firudin I.
Ovsyannikov, Viacheslav O.
Sokolovskiy, Pavel V.
Sebyakin, Yurii L.
Samigullina, Aida I.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
author_sort Guseinov, Firudin I.
collection PubMed
description 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.
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spelling pubmed-105612122023-10-10 Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate Guseinov, Firudin I. Ovsyannikov, Viacheslav O. Sokolovskiy, Pavel V. Sebyakin, Yurii L. Samigullina, Aida I. Akkurt, Mehmet Çelikesir, Sevim Türktekin Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2023-09-12 /pmc/articles/PMC10561212/ /pubmed/37817960 http://dx.doi.org/10.1107/S2056989023007272 Text en © Guseinov et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Guseinov, Firudin I.
Ovsyannikov, Viacheslav O.
Sokolovskiy, Pavel V.
Sebyakin, Yurii L.
Samigullina, Aida I.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title_full Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title_short Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
title_sort synthesis, crystal structure and hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561212/
https://www.ncbi.nlm.nih.gov/pubmed/37817960
http://dx.doi.org/10.1107/S2056989023007272
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