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

ABSTRACT: 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.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3200788 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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'-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'-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.

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

Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2Br(-), has the cation lying about a center of inversion. The five-membered imidazole ring is disordered over two positions with the major component having a site occupancy of 0.712?(4); the N-bound methyl substituents are ordered. The imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 80.7?(5)° for the major disorder component and 89.8?(3)° for the other; the two components are off-set by 10.1?(6)°].

| S-EPMC2977381 | biostudies-literature

3,3'-Dibenzyl-1,1'-(2,4,6-trimethyl-m-phenyl-enedimethyl-ene)diimidazol-3-ium dibromide.

Project description:In the title molecular salt, C(31)H(34)N(4) (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 supra-molecular chains along the c axis.

| S-EPMC3051991 | biostudies-literature

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Project description:The title imidazolium-based ionic-liquid salt, C(18)H(24)N(4) (2+)·2BF(4) (-), has the cation lying about a center of inversion. The five-membered imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 86.9?(1)°]. The tetra-fluoro-borate anion is disordered over two sites in a 0.722?(3):0.278?(3) ratio.

| S-EPMC2977162 | biostudies-literature

1,1',2,2'-Tetra-methyl-3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium bis-(trifluoro-methane-sulfonate).

Project description:In the solid form of the title imidazolium-based ionic liquid salt, C(18)H(24)N(4) (2+)·2CF(3)SO(3) (-), the complete cation is generated by a crystallographic inversion centre. The five-membered imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 85.11 (11)°]. In the crystal, the components are linked by C-H⋯O interactions.

| S-EPMC3007914 | 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'-(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

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