Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Phenyl-1H-imidazol-3-ium hydrogen fumarate-fumaric acid (2/1).

ABSTRACT: The asymmetric unit of the title compound, C(9)H(9)N(2) (+)·C(4)H(3)O(4) (-)·0.5C(4)H(4)O(4), consists of one 2-phenyl-imidazolium cation, one hydrogen fumarate anion and half a fumaric acid mol-ecule, which lies on an inversion center. N-H?O and O-H?O hydrogen bonds connect the cations, anions and fumaric acid mol-ecules into sheets parallel to the (102) plane.

SUBMITTER: Guo H

PROVIDER: S-EPMC3343985 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Phenyl-1H-imidazol-3-ium hydrogen fumarate-fumaric acid (2/1).

Guo Hong H Zhang Xin X Li Jian-Xia JX

Acta crystallographica. Section E, Structure reports online 20120310 Pt 4

The asymmetric unit of the title compound, C(9)H(9)N(2) (+)·C(4)H(3)O(4) (-)·0.5C(4)H(4)O(4), consists of one 2-phenyl-imidazolium cation, one hydrogen fumarate anion and half a fumaric acid mol-ecule, which lies on an inversion center. N-H⋯O and O-H⋯O hydrogen bonds connect the cations, anions and fumaric acid mol-ecules into sheets parallel to the (102) plane. ...[more]

PMID: 22589894

Similar Datasets

2-Phenyl-1H-imidazol-3-ium hydrogen oxalate.

Project description:In the title mol-ecular salt, C(9)H(9)N(2) (+)·C(2)HO(4) (-), the dihedral angle between the aromatic rings of the cation is 17.5?(3)° and the dihedral angle between the -CO(2)H and -CO(2) groups of the anion is 38.6?(2)°. In the crystal, the components inter-act by way of O-H?O and N-H?O hydrogen bonds.

| S-EPMC3151754 | biostudies-literature

Hydrogen-bonded network in the salt 4-methyl-1H-imidazol-3-ium picrate.

Project description:In the title molecular salt, C4H7N2 (+)·C6H2N3O7 (-), the phenolic proton of the starting picric acid has been transferred to the imidazole N atom. The nitro groups are twisted away from the benzene ring plane, making dihedral angles of 12.8?(2), 9.2?(4) and 29.3?(2)°. In the crystal, the component ions are linked into chains along [010] via N-H?O and bifurcated N-H?(O,O) hydrogen bonds. These chains are further linked by weak C-H?O hydrogen bonds into a three-dimensional network. The complex three-dimensional network can be topologically simplified into a 4-connected uninodal net with the point symbol {4.8(5)}.

| S-EPMC4908564 | biostudies-literature

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

Project description: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.

| S-EPMC2979657 | biostudies-literature

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 ?-? 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.

| S-EPMC3051745 | biostudies-literature

Bis(1H-imidazol-3-ium) naphthalene-1,5-disulfonate.

Project description:The asymmetric unit of the title organic salt, 2C(3)H(5)N(2) (+)·C(10)H(6)O(6)S(2) (2-), consists of an imidazolium cation and half a naphthalene-1,5-disulfonate dianion, completed to the full dianion through an inversion center. N-H?S and N-H?O hydrogen bonds link cations and anions in the crystal, forming a chain propagating along [101].

| S-EPMC3344631 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 2-phenyl-1H-phenanthro[9,10-d]imidazol-3-ium benzoate.

Project description:In the title compound, C21H15N2 +·C7H5O2 -, 2-phenyl-1H-phenanthro[9,10-d]imidazole and benzoic acid form an ion pair complex. The system is consolidated by hydrogen bonds along with ?-? inter-actions and N-H?? inter-actions between the constituent units. For a better understanding of the crystal structure and inter-molecular inter-actions, a Hirshfeld surface analysis was performed.

| S-EPMC7199257 | biostudies-literature

Crystal structure of 2-methyl-1H-imidazol-3-ium hydrogen oxalate dihydrate.

Project description:Single crystals of the title mol-ecular salt, C4H7N2 (+)·HC2O4 (-)·2H2O, were isolated from the reaction of 2-methyl-1H-imidazole and oxalic acid in a 1:1 molar ratio in water. In the crystal, the cations and anions are positioned alternately along an infinite [010] ribbon and linked together through bifurcated N-H?(O,O) hydrogen bonds. The water mol-ecules of crystallization link the chains into (10-1) bilayers, with the methyl groups of the cations organized in an isotactic manner.

| S-EPMC4971852 | biostudies-other

Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate-2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate.

Project description:The title salts, C4H7N2 (+)·NO3 (-)·C4H6N2, (I), and C4H7N2 (+)·NO3 (-), (II), were obtained from solutions containing 2-methyl-imidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the -NH H atoms of the imidazole ring shows half-occupancy, hence only every second mol-ecule is in its cationic form. The nitrate anion in this structure lies on a twofold rotation axis. The neutral 2-methyl-imidazole mol-ecule and the 2-methyl-1H-imidazol-3-ium cation inter-act through N-H⋯N hydrogen bonds to form [(C4H6N2)⋯(C4H7N2)(+)] pairs. These pairs are linked with two nitrate anions on both sides through bifurcated N-H⋯(O,O) hydrogen bonds into chains running parallel to [001]. In the crystal structure of salt (II), the C4H7N2 (+) cation and the NO3 (-) anion are both located on a mirror plane, leading to a statistical disorder of the methyl H atoms. The cations and anions again inter-act through bifurcated N-H⋯(O,O) hydrogen bonds, giving rise to the formation of chains consisting of alternating anions and cations parallel to [100].

| S-EPMC4910320 | biostudies-literature

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

2-Ethyl-1H-imidazol-3-ium hemioxalate oxalic acid monohydrate.

Project description:In the title compound, C(5)H(9)N(2) (+)·0.5C(2)O(4) (2-)·C(2)H(2)O(4)·H(2)O, the anions, cations and water mol-eculars are linked by N-H?O and O-H?O hydrogen bonds which define a tightly bound three-dimensional structure. The title compound is a layered structure as viewed along the a or c axis; one layer contains water and oxalic acid mol-ecules, the other the imidazolium cation. The C atoms of the ethyl group of the 2-ethyl-imidazolium cation are disordered over two positions of equal occupancy.

| S-EPMC3152088 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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