A copper-catalyzed regio- and intermolecular aminofluorination of styrenes has been developed. In this reaction Ph-I=N-Ts and Et3N·3HF act as nitrogen and fluorine sources, respectively. The obtained β-fluoro-N-Ts-phenethylamines can be N-alkylated with subsequent deprotection affording the corresponding β-fluoro-N-alkylated phenethylamines, which are interesting building blocks for compounds a...

In the title compound, C(19)H(19)FN(2)O(2)S, the hydrogenated six-membered ring of the carbazole unit adopts a half-chair conformation and the plane of the fluoro-phenyl ring forms a dihedral angle of 41.5 (1)° with respect to the carbazole mean plane. The crystal structure is segregated into layers containing the carbazole units and fluoro-phenyl rings in alternate (200) planes. The carbazole ...

In the title mol-ecule, C13H8F2N2, the dihedral angle between the benzimidazole ring system and the di-fluoro-substituted benzene ring is 30.0 (1)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming chains along [010]. In addition, weak C-H⋯F hydrogen bonds connect chains into a two-dimensional network parallel to (001). A weak C-H⋯π inter-action is observed between an H at...

In the title salt (2S,4S,8R)-1-butyl-2-[(R)-(hydr-oxy)(6-methoxy-quinolin-4-yl)meth-yl]-8-vinyl-quinuclidin-1-ium tetra-fluoro-borate, C(24)H(33)N(2)O(2) (+)·BF(4) (-), the butyl substituent at the 1-position is in an equatorial conformation with respect to the unsubstituted six-membered ring and the four butyl C atoms are almost coplanar with the ring N and vinyl C atoms (r.m.s. deviation = 0....

In the cation of the title salt {systematic name: 4-[bis-(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium hydrogen maleate}, C26H27F2N2 (+)·C4H3O4 (-), the protonated piperazine ring is in a chair conformation. The dihedral angle between the 4-fluoro-phenyl rings is 68.2 (2)°. An intra-molecular O-H⋯O hydrogen bond occurs in the anion. In the crystal, N-H⋯O, C-H⋯O and ...

In the crystal structure of the title compound, C(21)H(14)FN(5), the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluoro-phenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N-H⋯N hydrogen bonds, which result in a two-dimensional network parallel to the ac-plane.

Density functional theory computations with dispersion corrections (DFT-D) were performed to investigate the dihalogen interactions and their effect on the electronic band structures of halogenated (fluorinated and chlorinated) BN bilayers and aligned halogen-passivated zigzag BN nanoribbons (BNNRs). Our results reveal the presence of considerable homo-halogen (FF and ClCl) interactions in bila...