organic compounds
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The title 2-azabicyclo[2.2.2]octa-2,5-diene derivative, C14H18N4O, crystallized out with two independent molecules with similar conformations in the asymmetric unit. In each molecule, the three six-membered rings adopt boat conformations. The molecules exist in the enamine form. In the crystal, molecules are linked by N—HO and N—HN hydrogen bonds into a two-dimensional network parallel to the ab plane.
organic compounds
Open access
In the asymmetric unit of the title compound, C14H11N5O6, there are three crystallographically independent molecules with similar conformations but some differences in bond angles. The molecules are slightly twisted with the dihedral angles between the benzene rings being 10.02 (14), 8.41 (15) and 1.40 (14)°. In each molecule, an intramolecular N—HO hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by weak C—HO interactions into a three-dimensional network. π–π interactions with centroid–centroid distances of 3.5635 (17)–3.8273 (18) Å are observed.
organic compounds
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In the cation of the title compound, C18H23N2+·C7H7O4S−·H2O, one ethyl group of the diethylamino unit is disordered over two sets of sites in a 0.665 (6):0.335 (6) ratio. The styrylpyridinium unit is nearly planar, with a dihedral angle between the pyridinium and benzene rings of 4.27 (8)°. In the crystal, the anion ring is almost perpendicular to the aromatic rings of the cation; the sulfonate-substituted benzene ring forms dihedral angles of 89.60 (8) and 89.37 (8)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal, the three components are linked into a three-dimensional network by O—HO and C—HO hydrogen bonds. π–π interactions with centroid–centroid distances of 3.6999 (9) and 3.7106 (9) Å are also present.