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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10561212 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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