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3,3'-(p-Phenyl-enedimethyl-ene)di-1H-imidazol-1-ium bis-(4-nitro-benzoate)-4-nitro-benzoic acid (1/2).

ABSTRACT: The asymmetric unit of the title compound, C(14)H(16)N(4) (2+)·2C(7)H(4)NO(4) (-)·2C(7)H(5)NO(4), comprises one-half of the 3,3'-(p-phenyl-enedimethyl-ene)di-1H-imidazol-1-ium dication, which lies on an inversion centre, one 4-nitro-benzoate anion and one 4-nitro-benzoic acid mol-ecule. In the crystal, the components are linked into a two-dimensional network parallel to (110) by O-H?O, N-H?O and C-H?O hydrogen bonds.

SUBMITTER: Dong GY

PROVIDER: S-EPMC2979657 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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3,3'-(p-Phenyl-enedimethyl-ene)di-1H-imidazol-1-ium bis-(4-nitro-benzoate)-4-nitro-benzoic acid (1/2).

Dong Gui-Ying GY Liu Xin-Hua XH Liu Tong-Fei TF Khan Islam Ullah IU

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

The asymmetric unit of the title compound, C(14)H(16)N(4) (2+)·2C(7)H(4)NO(4) (-)·2C(7)H(5)NO(4), comprises one-half of the 3,3'-(p-phenyl-enedimethyl-ene)di-1H-imidazol-1-ium dication, which lies on an inversion centre, one 4-nitro-benzoate anion and one 4-nitro-benzoic acid mol-ecule. In the crystal, the components are linked into a two-dimensional network parallel to (110) by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 21579549

Similar Datasets

2,2'-(p-Phenyl-ene)bis-(4,5-dihydro-1H-imidazol-3-ium) bis-(3-nitro-benzoate).

Project description:In the title compound, C(12)H(16)N(4) (+)·2C(7)H(4)NO(4) (-), the complete 2,2'-(p-phenyl-ene)bis-(4,5-dihydro-1H-imidazol-3-ium) (bib) dication is generated by crystallographic inversion symmetry. The bib cations reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. In the cation, the imidazole ring adopts an envelop conformation with the flap atom displaced by 0.082 (3) Å from the plane through the other ring atoms. In the crystal, the cations and anions are linked through inter-molecular N-H⋯O hydrogen bonds, forming chains running along the a axis. C-H⋯O inter-actions also occur. Weak π-π contacts between the imidazole rings of bib and between the benzene rings of NB [centroid-centroid distances = 3.501 (1) and 3.281 (2) Å, respectively] may further stabilize the structure.

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3,3'-(p-Phenyl-enedimethyl-ene)di-imidazol-1-ium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate) dihydrate.

Project description:In the title compound, C(14)H(16)N(4) (2+)·2C(7)H(5)O(6)S(-)·2H(2)O, the 3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium dication lies on a crystallographic inversion center. In the crystal structure, dications, anions and solvent water mol-ecules are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, and C-H?? inter-actions, forming a three-dimensional network containing R(2) (2)(4), R(2) (4)(12), R(4) (4)(22), R(8) (10)(32) and R(12) (14)(66) ring motifs.

| S-EPMC2968313 | biostudies-literature

Tris-[3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium] bis(phosphatododeca-molybdate).

Project description:In the title compound, (C(14)H(16)N(4))(3)[PMo(12)O(40)](2), the asymmetric unit contains one [PMo(12)O(40)](3-) anion and one and a half 3,3'-(p-phenyl-enedimethyl-ene)diimidazol-1-ium cations. Each cation links two [PMo(12)O(40)](3-) anions, which link three cations through N-H?O hydrogen bonds, generating an infinite supra-molecular chain-like structure.

| S-EPMC2961430 | biostudies-literature

Bis[1,1'-(1,3-phenyl-enedimethyl-ene)di(1H-imidazol-3-ium)] ?-octa-molybdate.

Project description:In the title compound, (C(14)H(16)N(4))(2)[Mo(8)O(26)], the ?-octa-molybdate anion is centrosymmetric. N-H?O hydrogen bonds link the diimidazolium cations and the polyoxidoanions into a chain structure along [100]. ?-? inter-actions between the imidazole rings and between the imidazole and benzene rings [centroid-centroid distances = 3.611?(2) and 3.689?(3)?Å, respectively] connect the chains.

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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).

Project description: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.

| S-EPMC3393961 | biostudies-literature

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

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

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-(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%.

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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

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