Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-hepta-fluoro-2-(3-[(2,3,3,4,4,5,5-hepta-fluoro-cyclo-penten-1-yl)-oxy]-2-{[(2,3,3,4,4,5,5-hepta-fluoro-cyclo-penten-1-yl)-oxy]meth-yl}-2-methyl-prop-oxy)cyclo-pentene.

In the title compound, CHFO, a central -hybridized carbon atom is decorated with three hepta-fluoro-2-meth-yloxy(cyclo-pent-1-ene) arms and a methyl group. The primary packing is determined by C-F⋯F-C inter-actions, forming [001] chains, which are consolidated weaker C-F⋯F-C and C-H⋯F-C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F inter-actions (53.

Synthesis and crystal structure of 2-[(2,3,5,6-tetra-fluoro-pyridin-4-yl)amino]-ethyl methacrylate.

In the title compound, CHFNO, the conformation about the N-C-C-O bond is [torsion angle = 61.84 (13)°]. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into [010] chains, which are cross-linked by C-H⋯F and C-H⋯π contacts.

Halogen, chalcogen, and hydrogen bonding in organoiodine cocrystals of heterocyclic thiones: imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole.

Through the combination of heterocyclic thiones with variation in the identity of the heterocyclic elements, namely, imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole with the common halogen-bond donors 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, 1,3,5-trifluorotriiodobenzene, and tetraiodoethylene, a series of 18 new crystalline structures were characterized. In most cases, N-H..

Metal-mediated rearrangement of 1,2-diphenylhydrazine to -semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(II).

Reaction between RuCl(PPh) and 1,2-diphenylhydrazine resulted in rearrangement and coordination of -semidine. The product, RuCl(PPh)(κ-NH-1,2-CH-NHPh), was characterized spectroscopically and the molecular structure was conclusively determined using X-ray crystallography. Computational chemistry was employed to probe the energetics surrounding the rearrangement reaction and product.

The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding.

By varying the halogen-bond-donor molecule, 11 new halogen-bonding cocrystals involving thiourea or 1,3-dimethylthiourea were obtained, namely, 1,3-dimethylthiourea-1,2-diiodo-3,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 1, thiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 2, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 3, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene-methanol (1/1/1), CFI·CHNS·CHO, 4, 1,3-dimethylthiourea-1,3-diiodo-2,4,5,6-tetrafluorobenzene-ethanol (1/1/1), CFI·CHNS·CHO, 5, 1,3-dimethylthiourea-1,4-diiodo-2,3,5,6-tetrafluorobenzene (1/1), CFI·CHNS, 6, 1,3-dimethylthiourea-1,3,5-trifluoro-2,4,6-triiodobenzene (1/1), CFI·CHNS, 7, 1,3-dimethylthiourea-1,1,2,2-tetraiodoethene (1/1), CHNS·CI, 8, [(dimethylamino)methylidene](1,2,2-triiodoethenyl)sulfonium iodide-1,1,2,2-tetraiodoethene-acetone (1/1/1), CHINS·I·CHO·CI, 9, 2-amino-4-methyl-1,3-thiazol-3-ium iodide-1,1,2,2-tetraiodoethene (2/3), 2CHNS·2I·3CI, 10, and 4,4-dimethyl-4H-1,3,5-thiadiazine-3,5-diium diiodide-1,1,2,2-tetraiodoethene (2/3), 2CHNS·4I·3CI, 11. When utilizing the common halogen-bond-donor molecules 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, as well as 1,3,5-trifluoro-2,4,6-triiodobenzene, bifurcated I..