In the crystal structure of the title compound, C6H10N3O+·C7H4ClO2−, the pyrimidine N atom of the cation is hydrogen-bonded to the 4-chlorobenzoate anion through a pair of N—H⋯Ocarboxyl hydrogen bonds, forming an (8) ring motif which is linked through centrosymmetric (8) ring motifs, forming a pseudotetrameric DDAA array.
The title Schiff base compound displays an E configuration with respect to the C=N double bond. The benzene rings form a dihedral angle of 58.06 (9)°. In the crystal, the molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds into chains, which are further connected into a three-dimensional network by C—H⋯π interactions.
The molecule of the title Schiff base compound, C14H13N3O3·H2O, displays a trans configuration with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 29.63 (7)°. The crystal structure features intermolecular N—H...O, C—H...O, O—H...O and O—H...N hydrogen-bonding interactions, leading to the formation of a supramolecular framework. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (37.0%), O...H/H...O (23.7%)), C...H/H...C (17.6%) and N...H/H...N (11.9%) interactions. The title compound has also been characterized by frontier molecular orbital analysis.
The molecule of the title Schiff base, C 8 H 8 BrN 3 OSÁC 2 H 6 OS, which crystallizes as a dimethyl sulfoxide (DMSO) monosolvate, displays an E configuration with respect to the C N bond, with a dihedral angle of 14.54 (11) between the benzene ring and the mean plane of the N-N-C(N) S unit. In the crystal, molecules are linked by N-HÁ Á ÁO hydrogen bonds, forming chains propagating along the b-axis direction. Within the chains there are R 2 3 (11) ring motifs, which are reinforced by C-HÁ Á ÁO DMSO hydrogen bonds enclosing secondary R 1 2 (6) and R 2 3 (9) loops. The chains are linked by O-H hydroxyl Á Á ÁS hydrogen bonds, forming layers parallel to (011). Inversion-related layers are linked by short BrÁ Á ÁBr interactions [3.5585 (5) Å ], forming slabs parallel to (011). The intermolecular interactions have been investigated using Hirshfeld surface studies and two-dimensional fingerprint plots. The crystal structure of the unsolvated form of the title compound has been reported previously [Kargar et al. (2010). Acta Cryst. E66, o2999], and its solid-state structure is compared with that of the title solvated form.
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