The new organic salt, 2-aminobenzoxazol-3-ium 3-carboxyprop-2-enoate, C7H7N2O+·C4H3O4
−, of the two bioactive compounds 2-aminobenzoxazole and fumaric acid, crystallizes in the orthorhombic space group Pbca using classical evaporation of their solution in water. The usual topological analysis revealed four classical (N—H...O and O—H...O) and two non-classical (C—H...O) hydrogen bonds in the structure. Stacking was found as well for a pair of 2-aminobenzoxazolium cations. A Hirshfeld surface analysis including the two-dimensional fingerprint plots was performed to define the residual π–π interactions and to quantify the influences of different types of interactions by means of topological analysis. Analysis of the pairwise interaction energies was used to prove the formation of the corrugated paired layers of cation–anion dimers parallel to the plane (001) as a basic structural motif in the topological, as well as in the energetic structure of the crystal. It showed that the layers are connected by the hydrogen bonds inside and by stacking and π–π interactions and general dispersion between them.
The title 1,3,4-oxadiazole derivative crystallizes as a hemihydrate, C8H6N2O2S·0.5H2O, with the water molecule located on a twofold rotation axis. The 1,3,4-oxadiazole molecule is essentially planar, the r.m.s. deviation of the non-H atoms being 0.0443 Å. The dihedral angle between the mean planes of the phenyl and oxadiazole rings is 6.101 (17)°. In the crystal, molecules are linked via O—H...S and N—H...O hydrogen bonds involving the water molecule, the N—H group and the thione S atom into undulating ribbons. Additional π–π interactions generate a two-dimensional supramolecular framework extending parallel to (001).
The reaction of 2-methylthio-5-amino-1,3,4-thiadiazole (Me-SNTD; C3H5N3S2) with copper(II) acetate monohydrate [Cu(OAc)2·H2O; C4H8CuO5] resulted in the formation of the title binuclear compound, [Cu2(C2H3O2)4(C3H5N3S2)2] or [Cu2(OAc)4(Me-SNTD)2]. The structure has triclinic (P \overline{1}) symmetry with a crystallographic inversion centre located at the midpoint of the line connecting the Cu atoms in the dimer. These two Cu atoms of the dimer [Cu...Cu = 2.6727 (6) Å] are held together by four carboxylate groups. Each Cu atom is further coordinated to the N atom of an Me-SNTD molecule and exhibits a Jahn–Teller-distorted octahedral geometry. The dimers are connected into infinite chains by hydrogen bonds between the NH (Me-SNTD) and the carboxylate groups of neighbouring molecules, generating an R
2
2(12) ring motif. The molecules are further linked by C—H...π interactions between the thiadiazole rings and the methyl groups of the acetate units.
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