organic compounds
Open access
In the title compound, C19H17N5S, the dihedral angles between the purine ring system (r.m.s. deviation = 0.009 Å) and the S-bound and methylene-bound phenyl rings are 74.67 (8) and 71.28 (7)°, respectively. In the crystal, inversion dimers linked by pairs of N—HN hydrogen bonds generate R22(8) loops. C—HN interactions link the dimers into (100) sheets.
organic compounds
Open access
The asymmetric unit of the title hydrated salt, C13H11N2+·C7H6NO2−·2H2O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N—HO hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N—HN and N—HO hydrogen bonds. The water molecules, which form O—HO hydrogen-bonded chains along the b-axis direction, connect the anions and the cations by O—HO, N—HO and C—HO hydrogen bonds. The crystal structure also features π–π interactions [centroid–centroid distances = 3.6343 (9)–3.8366 (10) Å] and a C—Hπ interaction.
organic compounds
Open access
In the title compound, C14H12ClN5, the dihydropyridine ring adopts a shallow boat conformation. The dihedral angle between the plane of this ring and that of the chlorobenzene ring is 69.15 (15)°. In the crystal, molecules are linked by N—HN and N—HCl hydrogen bonds, generating (001) sheets.
Keywords: crystal structure.
organic compounds
Open access
In the title molecular salt, C4H6ClN4+·C5H7O4−, the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—HO hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—HO hydrogen bonds with an R22(8) ring motif. This motif further self-organizes through N—HO and O—HO hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R32(8), R22(8), R42(8), R22(8) and R32(8). In addition, another type of R22(8) motif is formed by inversion-related pyrimidinium cations via N—HN hydrogen bonds, forming a two-dimensional network parallel to (101).
Keywords: crystal structure.