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The two centrosymmetric dinuclear copper paddle-wheel complexes tetrakis(μ-4-hydroxybenzoato-κ2 O: O′)bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ2 O: O′)bis[(dimethylformamide-κ O)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two CuII ions are bridged by four syn, syn-η1:η1:μ carboxylate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal-organic framework of (I) consists of three different R22(20) and an R44(36) ring motif formed via O-H...O and O W-H W...O hydrogen bonds. Complex (II) simply packs as molecular species. [ABSTRACT FROM AUTHOR]

Two new crystalline salts, namely, hypoxanthinium bromide monohydrate, C 5 H 5 N 4 O + ·Br - ·H 2 O ( I ) and xanthinium bromide monohydrate, C 5 H 5 N 4 O 2 + ·Br - ·H 2 O ( II ), were synthesized and characterized by single-crystal X-ray diffraction technique and Hirshfeld surface analysis. The hypoxanthinium and xanthinium cations in salts I and II are both in the oxo-N(9)-H tautomeric form. The crystal packing of the two salts is governed predominantly by N-H⋯O, N-H⋯Br, C-H⋯Br and O-H⋯Br inter-actions described by R 2 3 (9) and R 2 2 (8) synthons. The crystal packing is also consolidated by carbon-yl⋯π inter-actions between symmetry-related hypoxanthinium ( HX + ) cations in salt I and xanthinium cations ( XA + ) in salt II . The combination of all these inter-actions leads to the formation of wave- and staircase-like architectures in salts I and II , respectively. The largest contributions to the overall Hirshfeld surface are from Br⋯H/H⋯Br contacts (22.3% in I and 25.4% in II ) ., (© Sathya et al. 2022.)

The asymmetric unit of the title coordination polymer [Zn(C 9 H 6 NO 2 ) 2 (C 10 H 8 N 4 )] n , consists of one Zn II cation, one bidentate 1 H -indole-5-carboxyl-ate (I5C) anion and half of a 4,4'-azobi-pyridine (Abpy) neutral ligand. In the coordination polyhedron, the Zn II ion adopts a distorted octa-hedral geometry. The coordination polymer is stabilized by a combination of N-H⋯O and C-H⋯π inter-actions, which leads to the formation of wave-like two-dimensional coordination polymeric layers., (© Sathya et al. 2021.)

The title compound, C 6 H 2 N 3 O 7 - ·C 10 H 13 Cl 2 N 2 + , crystallizes with one 1-(2,3-di-chloro-phen-yl)piperazine (DP) cation and one picrate (PA) anion in the asymmetric unit. In the crystal structure, the DP cation and PA anion are inter-connected via several N-H⋯O and C-H⋯O hydrogen bonds. The DP cation and PA anion are further connected through C-Cl⋯π [3.8201 (4), 3.7785 (4) Å] and N-O⋯π [3.7814 (4) Å] inter-actions. The DP cations are further inter-connected via a weak inter-molecular Cl⋯Cl [3.2613 (4) Å] halogen-halogen inter-action. The combination of these supra-molecular inter-actions leads to a herringbone like supra-molecular architecture., (© Sathya et al. 2021.)

In the title compound, C 12 H 9 ClN 2 O, the dihedral angle between the aromatic rings is 1.78 (4)° and an intra-molecular O-H⋯N hydrogen bond closes an S (6) ring. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules into [001] chains., (© Mamallan et al. 2020.)

In the title salt, C4H7N4O(+)·C7H7O3S(-), the 2,6-di-amino-4-oxo-1,3-di-hydro-pyrimidin-1-ium cation inter-acts with the sulfonate group of the p-toluene-sulfonate anion via a pair of N-H⋯O hydrogen bonds, forming a hetero-synthon R 2 (2)(8) that mimics the role of a carboxyl-ate. The self-assembled cations form a homo-synthon R 2 (1)(6) motif which is further linked with the sulfonate anion via N-H⋯O hydrogen bonds to generate an R 3 (2)(10) ring motif. The three motifs are fused together and extended as supra-molecular ribbons along the b-axis direction. Adjacent ribbons are further linked via N-H⋯O hydrogen bonds to form an annulus, with an R 4 (4)(20) ring motif, resulting in a tunnel-like arrangement propagating along [010]. There are slipped parallel π-π stacking inter-actions [inter-centroid distance = 3.6539 (7) Å], between the tunnel-like polymer chains, forming slabs parallel to (100).

In the crystal structure of the title zwitterion, C5H11N5S, mol-ecules are linked via N-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. The chains are linked by C-H⋯S hydrogen bonds, forming two dimensional networks lying parallel to (001).

In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic π-π inter-action [centroid-centroid distance = 3.7945 (16) Å] is observed between these tetra-meric units.

In the title salt, C(6)H(10)N(3)O(2) (+)·C(7)H(7)O(3)S(-), the 2-amino-4,6-dimeth-oxy-pyrimidinium cation inter-acts with the sulfonate group of the p-toluene-sulfonate anion via a pair of N-H⋯O hydrogen bonds, forming a cyclic hydrogen-bonded R(2) (2)(8) motif, which in the crystal is linked by further intemolecular N-H⋯O hydrogen bonds, forming supra-molecular chains along the c axis. Furthermore, neighboring chains are inter-linked via weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers.