3,3′-Di-n-butyl-1,1′-(p-phenyl­ene­dimethyl­ene)diimidazolium bis­(hexa­fluoro­phosphate)

The asymmetric unit of the title N-heterocyclic carbene compound, C22H32N4 2+·2PF6 −, consists of one half of the N-heterocyclic carbene dication and one hexa­fluoro­phosphate anion. The dication lies across a crystallographic inversion center. The imidazole ring is twisted away from the central benzene ring, making a dihedral angle of 76.23 (6)°. The hexa­fluoro­phosphate anions link the cations into a three-dimensional network via inter­molecular C—H⋯F hydrogen bonds. A weak C—H⋯π inter­action further stabilizes the crystal structure

3,5-Bis(3-butylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)

In the title compound [systematic name: 3,3′-Dibutyl-1,1′-(5-methyl-m-phenyl­enedimethyl­ene)diimidazol-1-ium bis­(hexa­fluoridophosphate)], C23H34N4 2+·2PF6 −, the imidazole rings are inclined at angles of 68.06 (7) and 75.05 (8)° with respect to the central benzene ring. In the crystal, mol­ecules are linked into one-dimensional columns along [010] via weak inter­molecular C—H⋯F hydrogen bonds. The crystal structure is further consolidated by weak C—H⋯π(arene) inter­actions. One of the n-butyl groups is disordered over two sites with refined occupancies of 0.694 (5) and 0.306 (5). In addition, four of the F atoms of one of the PF6 − cations are disordered over two sites with occupancies of 0.64 (3) and 0.36 (3)

Bis(1-benzyl-3-methyl­imidazolium-κC 2)mercury(II) bis­(hexa­fluoridophosphate)

The asymmetric unit of the title complex, [Hg(C11H12N2)2](PF6)2, consists of one bis­(1-benzyl-3-methyl­imidazolium)mercury(II) cation, one half of the cation and an additional HgII atom, which lies on an inversion centre, and three hexa­fluorido­phosphate anions. The HgII atoms exist in a linear coordination geometry [C—Hg—C = 178.9 (2) and 180°] formed by two carbene C atoms from the imidazole rings. In the crystal, the cations and anions are connected via C—H⋯F hydrogen bonds, forming a three-dimensional network

3,5-Bis(3-methyl­imidazolium-1-ylmeth­yl)toluene bis­(hexa­fluoro­phosphate)

The asymmetric unit of the title N-heterocyclic carbene compound, C17H22N4 2+·2PF6 −, consists of one N-heterocyclic carbene dication and two hexa­fluoro­phosphate anions. The two imidazole rings are twisted away from but to the same side of the central toluene ring, making dihedral angles of 76.69 (7) and 78.03 (7)° with the central ring. In the crystal, the components are linked by C—H⋯F interactions, generating a three-dimensional network

Novel triazine-functionalized tetra-imidazolium hexafluorophosphate salt : synthesis, crystal structure and DFT study

Please read abstract in the article.Research data for this article available at: CCDC Cambridge Crystallographic Data Center Crystallographic data (https://www.ccdc.cam.ac.uk/structures/search?id=doi:10.5517/ccdc.csd.ccz83y8&sid=DataCite)Universiti Sains Malaysia (USMhttp://www.elsevier.com/ locate/molstruc2020-12-15hj2020Chemistr

Bis{1,4-bis­[(3-butyl­imidazolium-1-yl)meth­yl]benzene}­silver(I) bis­(hexa­fluoridophosphate)

The asymmetric unit of the title complex, [Ag2(C22H30N4)2](PF6)2, consists of one AgI ion, one 1,4-bis­[(3-butyl­imidazolium-1-yl)meth­yl]benzene ligand and one discrete hexa­fluoridophosphate anion. The formula unit is generated by an inversion center. The unique AgI ion is coordinated by two C atoms of two heterocyclic carbene ligands in an essentially linear geometry. In the crystal structure, cations and anions are linked through weak C—H⋯F hydrogen bonds, forming a three-dimensional network

3,3′-Dibenzyl-1,1′-(2,4,6-trimethyl-m-phenyl­enedimethyl­ene)diimidazol-3-ium dibromide

In the title molecular salt, C31H34N4 2+·2Br−, the central benzene ring makes dihedral angles of 80.47 (12) and 82.78 (12)° with the adjacent imidazole rings. The dihedral angle between the two terminal phenyl rings is 79.16 (13)°. In the crystal, the cations and anions are linked via C—H⋯Br hydrogen bonds, forming supra­molecular chains along the c axis

Potassium bis­[bis­(1-benzyl-3-methyl­imidazolium)silver(I)] tris­(hexa­fluoridophosphate)

In the title compound, K[Ag(C11H12N2)2]2(PF6)3, the 12-coordinate potassium cation lies on a crystallographic twofold axis and one of the hexa­fluoro­phosphate anions is generated by symmetry. In the complex cation, the AgI ion is coordinated by two C atoms; the two imidazolium rings are orientated at a dihedral angle of 8.14 (14)°. In the 1-benzyl-3-methyl­imidazolium units, the dihedral angles between imidazolium and phenyl rings are 80.47 (15) and 76.53 (14)°. The F atoms of the general-position hexa­fluoro­phosphate anion are disordered over two sets of sites in a 0.767 (17):0.233 (17) ratio. In the crystal, the hexa­fluoro­phosphate anions link the cations into three-dimensional networks via inter­molecular C—H⋯F hydrogen bonds and are further consolidated by π–π stacking [centroid–centroid distances = 3.5518 (15) Å] inter­actions

Pd(II) and trinuclear Ag(I) bis-N-heterocyclic carbene complexes: Synthesis, structural and in vitro anticancer activity

The synthesis and characterization of two Ag(I)- N-heterocyclic carbene complexes 3 and 4 of imidazole-based NHC proligands 1 and 2, respectively, are described. The findings revealed that the choice of the counter ions is crucial, which can lead to different supramolecular architectures. Complex 3 is a trinuclear, whereas its analogue complex 4 is mononuclear. Despite being structurally different entities, these complexes form cis-palladium-NHC complex 5 by trans-metallation method, which is a cis-platinum analogue. All the reported compounds 1-5 were tested for their anticancer activities, where compounds 2 and 3 found more potent than the rest