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3,3'-Di-n-propyl-1,1'-(1,3-phenyl-ene-dimethyl-ene)di(1H-imidazol-3-ium) bis-(hexa-fluorophosphate).

ABSTRACT: In the title compound, C(20)H(28)N(4) (2+)·2PF(6) (-), the dihedral angles between the benzene ring and the imidazole rings are 70.18 (11) and 69.83 (11)°, while the imidazole rings form a dihedral angle of 40.52 (12)°. In the crystal, weak C-H⋯F inter-actions link the mol-ecules into a two-dimensional network parallel to (001). A π-π inter-action with a centroid-centroid distance of 3.601 (1) Å is also observed in the crystal structure.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3393961 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methyl-ene)]di(1H-imidazol-3-ium) bis-(hexa-fluoro-phosphate).

Project description:In the title N-heterocyclic carbene compound, C(32)H(30)N(4) (2+)·2PF(6) (-), the mean plane of the naphthalene ring system makes dihedral angles of 79.15 (15) and 76.85 (16) with the imidazole rings and 56.15 (19) and 80.56 (16)° with the benzene rings. An intra-molecular C-H⋯N hydrogen bond occurs. The crystal structure is stabilized by C-H⋯F inter-actions. In addition, π-π inter-actions [centroid-centroid distances = 3.848 (1) and 3.574 (3) Å] are observed. The nine equatorial F atoms in the two PF(6) (-) anions were disordered over two positions with occupancy ratios of 0.545 (10):0.455 (10) and 0.793 (11):0.207 (11) in the two anions.

| S-EPMC3200774 | biostudies-literature

3,3'-Diethyl-1,1'-(1,4-phenyl-ene-dimethyl-ene)diimidazol-3-ium bis-(hexa-fluoro-phosphate).

Project description:In the title mol-ecular salt, C(18)H(24)N(4) (2+)·2PF(6) (-), the complete dication is generated by a crystallographic inversion centre. The central benzene ring makes a dihedral angle of 77.19 (9)° with each of the imidazole rings. In the crystal, C-H⋯F inter-actions link the cations and anions into layers lying parallel to the bc plane. The hexa-fluoro-phosphate anion is disordered over two sets of sites in a 0.520 (11):0.480 (11) ratio.

| S-EPMC3394059 | biostudies-literature

3,3'-Di-n-butyl-1,1'-(p-phenyl-ene-dimethyl-ene)diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The asymmetric unit of the title N-heterocyclic carbene compound, C(22)H(32)N(4) (2+)·2PF(6) (-), consists of one half of the N-heterocyclic carbene dication and one hexa-fluoro-phosphate 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 hexa-fluoro-phosphate anions link the cations into a three-dimensional network via inter-molecular C-H⋯F hydrogen bonds. A weak C-H⋯π inter-action further stabilizes the crystal structure.

| S-EPMC2983963 | biostudies-literature

3,3'-Dimethyl-1,1'-[2,2'-bipyridine-5,5'-diylbis(methyl-ene)]diimidazol-3-ium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(20)H(22)N(6) (2+)·2PF(6) (-), was prepared by the reaction of 5,5'-bis-(bromo-meth-yl)-2,2'-bipyridine with 1-methyl-imidazole. The main mol-ecule lies on an inversion center located at the mid-point of the C-C bond joining the two pyridine rings. The asymmetric unit therefore contains one half-mol-ecule and one hexa-fluoro-phosphate anion. The dihedral angle between the pyridine and imidazole rings is 76.93 (7)°. In the crystal, weak inter-molecular C-H⋯F hydrogen bonds contribute to the stabilization of the packing.

| S-EPMC3200939 | biostudies-literature

3,3'-Dimethyl-1,1'-(methyl-enedi-p-phenyl-ene)diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title N-heterocyclic carbene compound, C(21)H(22)N(4) (2+)·2PF(6) (-), crystallizes as an inversion twin. There are two independent N-heterocyclic carbene dications (A and B) and four independent hexa-fluoro-phosphate anions in the asymmetric unit. The cations are L-shaped with the benzene rings being inclined to one another by 88.82 (16)° in cation A and 87.03 (16)° in cation B. The imidazole rings make dihedral angles of 35.7 (2) and 32.83 (18)° with the attached benzene rings in cation A, and 30.14 (19) and 31.96 (18)° in cation B. In the crystal, the cations are linked via C-H⋯F hydrogen bonds, forming a three-dimensional network. π-π inter-actions involving the benzene and imidazole rings [centroid-centroid distances = 3.602 (2) and 3.723 (2) Å] and C-H⋯π inter-actions are also present.

| S-EPMC3007944 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(hexa-fluoridophosphate).

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2PF(6) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions (the methyl substituents are ordered). This imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 81.3?(8)° for one disorder component and 83.8?(8)° for the other; the two components are off-set by 2.7?(8)°]. The crystal is a non-merohedral twin with a twin component of 23%.

| S-EPMC2977199 | biostudies-literature

3,3'-Dicyclo-pentyl-1,1'-(1,3-phenyl-enedimethyl-ene)dibenzimidazol-1-ium bis-(hexa-fluoro-phosphate).

Project description:In the title compound, C(32)H(36)N(4) (2+)·2PF(6) (-), the cation and the anions each have crystallographic twofold rotation symmetry. The benzimidazole ring is almost planar [r.m.s. deviation = 0.0161?(1)?Å] and makes a dihedral angle of 5.77?(4)° with its symmetry-related component and a dihedral angle of 80.96?(5)° with the central benzene ring. The cyclo-pentyl ring adopts a half-chair conformation. In the crystal, mol-ecules are linked into a three-dimensional network through C-H?F hydrogen bonds. A C-H?? inter-action is also observed.

| S-EPMC3379432 | biostudies-literature

3,3'-Diallyl-1,1'-[o-phenyl-enebis(methyl-ene)]diimidazol-3-ium bis-(hexa-fluoro-phosphate).

Project description:In the cation of the title mol-ecular salt, C(20)H(24)N(4) (2+)·2PF(6) (-), the central benzene ring makes dihedral angles of 84.19 (7) and 79.10 (7)° with the pendant imidazole rings. In one of the hexa-fluoro-phosphate anions, the six F atoms are disordered over two sets of sites, with an occupancy ratio of 0.842 (3):0.158 (3). In the crystal, the cations and anions are linked by numerous C-H⋯F hydrogen bonds, thereby forming a three-dimensional network.

| S-EPMC3200788 | biostudies-literature

3,3'-Dimethyl-1,1'-(propane-1,3-di-yl)diimidazol-1-ium bis(hexafluoro-phosphate).

Project description:In the title compound, C(11)H(18)N(4) (2+)·2PF(6) (-), the dihedral angle between the two planar imidozlium rings is 6.1?(2)°. Both [PF(6)](-) anions are disordered [occupancies 0.65?(2):0.35?(2) and 0.59?(5):0.41?(5)]. The crystal packing is stabilized by inter-molecular C-H?F hydrogen bonds which link two mol-ecules, forming centrosymmetric dimers.

| S-EPMC2960103 | biostudies-literature

1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

| S-EPMC3238662 | biostudies-literature

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