Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1'-(p-Phenyl-enedimethyl-idene)diimidazol-3-ium bis-{2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate} dihydrate.

ABSTRACT: The title salt, C(14)H(16)N(4) (2+)·2C(14)H(9)O(4)S(2) (-)·2H(2)O, was obtained by the co-crystalization of 2,2'-dithio-dibenzoic acid with 1,4-bis-(imidazol-1-ylmeth-yl)benzene. It consists of 2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate anions, centrosymmetric 1,1'-(p-phenyl-enedimethyl-idene)diimidazol-3-ium cations and water mol-ecules. O-H?O, O-H?S and N-H?O hydrogen-bonding inter-actions among the components lead to the formation of a three-dimensional network.

SUBMITTER: Liu Z

PROVIDER: S-EPMC3011651 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,1'-(p-Phenyl-enedimethyl-idene)diimidazol-3-ium bis-{2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate} dihydrate.

Liu Zhengming Z Liu Qiang Q Yuan Limin L Liu Wenlong W

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

The title salt, C(14)H(16)N(4) (2+)·2C(14)H(9)O(4)S(2) (-)·2H(2)O, was obtained by the co-crystalization of 2,2'-dithio-dibenzoic acid with 1,4-bis-(imidazol-1-ylmeth-yl)benzene. It consists of 2-[(2-carb-oxy-phen-yl)disulfan-yl]benzoate anions, centrosymmetric 1,1'-(p-phenyl-enedimethyl-idene)diimidazol-3-ium cations and water mol-ecules. O-H⋯O, O-H⋯S and N-H⋯O hydrogen-bonding inter-actions among the components lead to the formation of a three-dimensional network. ...[more]

PMID: 21589520

Similar Datasets

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%.

| S-EPMC2977199 | 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'-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

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

3,3-Dimethyl-1,1-(propane-1,3-di-yl)diimidazol-1-ium tetra-bromido-cadmate(II).

Project description:The title compound, (C(11)H(18)N(4))[CdBr(4)], was prepared by an anion exchange. The dihedral angle between the two planar imidazolium rings in the cation is 74.4 (4)°. The crystal packing is stabilized by weak inter-molecular C-H⋯Br hydrogen bonds between the cation and the tetrahedral anion, building up a three-dimensionnal network.

| S-EPMC3008047 | biostudies-literature

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

1-(4-Carb-oxy-phen-yl)-1H-imidazol-3-ium chloride dihydrate.

Project description:In the crystal structure of the title compound, C(10)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, the components are linked by O-H?O, N-H?O, O-H?Cl and N-H?Cl hydrogen bonds. In the cation, the imidazole ring is oriented at a dihedral angle of 13.67?(17)° with respect to the benzene ring. In the crystal, ?-? stacking occurs between nearly parallel benzene rings, which are oriented at a dihedral angle of 3.4?(1)°, the centroid-centroid distance being 3.798?(3)?Å.

| S-EPMC3051584 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data