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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.
Guseinov, Firudin I; Ovsyannikov, Viacheslav O; Sokolovskiy, Pavel V; Sebyakin, Yurii L; Samigullina, Aida I; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya.
Afiliação
  • Guseinov FI; Kosygin State University of Russia, 117997 Moscow, Russian Federation.
  • Ovsyannikov VO; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
  • Sokolovskiy PV; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
  • Sebyakin YL; MIREA, Russian Technology University, Lomonosov Institute of Fine Chemical Technology, Moscow 119571, Russian Federation.
  • Samigullina AI; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
  • Akkurt M; MIREA, Russian Technology University, Lomonosov Institute of Fine Chemical Technology, Moscow 119571, Russian Federation.
  • Çelikesir ST; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
  • Bhattarai A; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
Acta Crystallogr E Crystallogr Commun ; 79(Pt 10): 899-904, 2023 Oct 01.
Article em En | MEDLINE | ID: mdl-37817960
ABSTRACT
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) Šfor 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.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Ano de publicação: 2023 Tipo de documento: Article