Two isomorphous azastilbene derivatives: 1-(2-chlorobenzyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridinium chloride and 1-(2-bromobenzyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]pyridinium bromide

The crystal structures of the two title (E)‐stilbazolium halogenates, C20H17ClNO+·Cl− and C20H17BrNO+·Br−, are isomorphous, with an isostructurality index of 0.985. The azastyryl fragments are almost planar, with dihedral angles between the benzene and pyridine rings of ca 4.5°. The rings of the ben...

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Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2010-10, Vol.66 (10), p.o493-o495
Main Authors: Manszewski, Tomasz, Prukała, Dorota, Prukała, Wiesław, Kubicki, Maciej
Format: Article
Language:English
Subjects:
Anions
Benzene
Cations
Chemical compounds
Chlorides
Crystal structure
Crystallography
Derivatives
Hydrogen bonds
Planes
Pyridines
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Summary:The crystal structures of the two title (E)‐stilbazolium halogenates, C20H17ClNO+·Cl− and C20H17BrNO+·Br−, are isomorphous, with an isostructurality index of 0.985. The azastyryl fragments are almost planar, with dihedral angles between the benzene and pyridine rings of ca 4.5°. The rings of the benzyl groups are, in turn, almost perpendicular to the azastyryl planes, with dihedral angles larger than 80°. The cations and anions are connected by O—H...X− (X = halogen) hydrogen bonds. The halide anions are `sandwiched' between the charged pyridinium rings of neighbouring molecules, and weak C—H...O hydrogen bonds and C—H...X and C—H...π interactions also contribute to the crystal structures.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270110034827