2-[3-(1 H -Benzimidazol-2-yl)prop-yl]-1 H -benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1 H -benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent
The chemical formula of the title compound, 2C H N ·2C H O ·C H N ·2.94C H O , was established by X-ray diffraction of a single-crystal obtained by reacting 1,3-bis-(benzimidazol-2-yl)propane ( ) and gallic acid (HGal) in ethyl acetate. The mol-ecular structure can be described as a salt (H ) (Gal)...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-05, Vol.79 (Pt 6), p.562 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | The chemical formula of the title compound, 2C
H
N
·2C
H
O
·C
H
N
·2.94C
H
O
, was established by X-ray diffraction of a single-crystal obtained by reacting 1,3-bis-(benzimidazol-2-yl)propane (
) and gallic acid (HGal) in ethyl acetate. The mol-ecular structure can be described as a salt (H
)
(Gal)
co-crystallized with a mol-ecule
, with a stoichiometric relation of 2:1. Moreover, large voids in the crystal are filled with ethyl acetate, the amount of which was estimated by using a solvent mask during structure refinement, affording the chemical formula (H
·Gal
)
·
·(C
H
O
)
. The arrangement of components in the crystal is driven by O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds rather than by π-π or C-H⋯π inter-actions. In the crystal, mol-ecules and ions shape the boundary of cylindrical tunnels parallel to [100]
(rings) and
(discrete) supra-molecular motifs. These voids, which account for about 28% of the unit-cell volume, contain disordered solvent mol-ecules. |
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ISSN: | 2056-9890 2056-9890 |