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Herein, we have isolated new 20-membered macrocycles by the simple condensation of α,α-dihalo-β-oxoaldehydes with diaminofurazan in acetonitrile. The interior and exterior sites of these macrocycles comprise hydrogen and halogen bond donor sites, respectively. Depending on the electron donating or accepting character of the substituents at the exterior sites of macrocyclic scaffolds, the average cavity diameters range from 8.15 to 8.47 Å. [ABSTRACT FROM AUTHOR]

In the title compound, C6H4BrF3N4O2, the oxa­diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an R2²(8) motif. The dimers are linked into layers parallel to the (10...) plane by N—H⋯O hydrogen bonds. In addition, C—O⋯π and C—Br⋯π inter­actions connect the mol­ecules, forming a three-dimensional network. The F atoms of the tri­fluoro­methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter­molecular inter­actions in the crystal structure were investigated and qu­anti­fied using Hirshfeld surface analysis. [ABSTRACT FROM AUTHOR]

In the title salt, C15H12FN2O+•Cl-H2O, the imidazo[1,2-a]pyridin-1-ium ring system of the cation is almostly planar [maximum deviaition = -0.047 (2) Å for the ring C atom with the attached arene ring] and forms a dihedral angle of 61.81 (6)° with the plane of the fluorophenyl ring. In the crystal, water molecules form an R24(8) motif parallel to the (100) plane by bonding with the chloride ions via O--H• • •Cl hydrogen bonds. The cations are connected along the b axis via N--H• • •O hydrogen bonds involving the O atoms of water molecules, and C--H• • •O, C--H• • •Cl and π--π interactions [centroid-to-centroid distance = 3.6195 (8) Å] form layers parallel to the (100) plane. Furthermore, these layers are connected via π--π interactions [centroid-to-centroid distance = 3.8051 (9) Å] that further consolidate the crystal structure. [ABSTRACT FROM AUTHOR]

In the title compound, C 6 H 4 BrF 3 N 4 O 2 , the oxa-diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol-ecular pairs are connected by N-H⋯N hydrogen bonds, forming dimers with an R (8) motif. The dimers are linked into layers parallel to the (10) plane by N-H⋯O hydrogen bonds. In addition, C-O⋯π and C-Br⋯π inter-actions connect the mol-ecules, forming a three-dimensional network. The F atoms of the tri-fluoro-methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter-molecular inter-actions in the crystal structure were investigated and qu-anti-fied using Hirshfeld surface analysis.2 2 (8) motif. The dimers are linked into layers parallel to the (10) plane by N-H⋯O hydrogen bonds. In addition, C-O⋯π and C-Br⋯π inter-actions connect the mol-ecules, forming a three-dimensional network. The F atoms of the tri-fluoro-methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter-molecular inter-actions in the crystal structure were investigated and qu-anti-fied using Hirshfeld surface analysis., (© Guseinov et al. 2024.)