Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Hydroxyphenyl)-4,5-dimethyl-1H-imidazol-3-ium acetate monohydrate.

ABSTRACT: In the title compound, C(11)H(13)N(2)O(+)·C(2)H(3)O(2) (-)·H(2)O, the dihedral angle between the benzene ring and the imidazole ring is 7.83?(6)°. In the crystal structure, N-H?O and O-H?O hydrogen bonds form a two-dimensional network. All the methyl H atoms are disorderd over two sites with equal occupancies.

SUBMITTER: Wen HL

PROVIDER: S-EPMC2959391 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(2-Hydroxyphenyl)-4,5-dimethyl-1H-imidazol-3-ium acetate monohydrate.

Wen Hui-Liang HL He Min M Liu Chong-Bo CB

Acta crystallographica. Section E, Structure reports online 20080917 Pt 10

In the title compound, C(11)H(13)N(2)O(+)·C(2)H(3)O(2) (-)·H(2)O, the dihedral angle between the benzene ring and the imidazole ring is 7.83 (6)°. In the crystal structure, N-H⋯O and O-H⋯O hydrogen bonds form a two-dimensional network. All the methyl H atoms are disorderd over two sites with equal occupancies. ...[more]

PMID: 21201153

Similar Datasets

4,5-Dibromo-1,2-dimethyl-1H-imidazol-3-ium bromide.

Project description:In the title salt, C(5)H(7)Br(2)N(2) (+)·Br(-), the cation and anion are connected by an N-H⋯Br hydrogen bond. In the crystal, there are inter-calated layers parallel to (10-2) in which bromide ions are located between the cations. Weak inter-molecular C-H⋯Br hydrogen bonds are also observed.

| S-EPMC3344518 | biostudies-literature

2-Bromo-1,3-diisopropyl-4,5-dimethyl-1H-imidazol-3-ium dicyanidoargentate.

Project description:The title structure, (C(11)H(20)BrN(2))[Ag(CN)(2))], is built up from an approximately C(2v)-symmetric imidazolium cation and a nearly linear dicyanidoargentate anion [N-Ag-N = 176.6?(9)° and Ag-C-N = 178.8?(9) and 177.2?(11)°]. These two constituents are linked by a remarkably short inter-action between the Br atom of the imidazolium cation [C-Br = 1.85?(3)?Å] and one N atom of the cyanidoargentate anion [Br?N = 2.96?(2)?Å], which is much less than the sum of the van der Waals radii (3.40?Å). The crystal studied was twinned by merohedry.

| S-EPMC3254295 | biostudies-literature

Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.

Project description:The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H⋯O(H(2)O) hydrogen bonds form a three-dimensional network.

| S-EPMC3239081 | biostudies-literature

2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3050166 | biostudies-literature

4,5-Bis(1H-imidazol-1-ylmeth-yl)acridine monohydrate.

Project description:In the title compound, C(21)H(17)N(5)·H(2)O, the dihedral angles between the acridine ring system and the imidazole rings are 78.8 (1) and 71.2 (1)°. The crystal packing is stabilized by O-H⋯N, C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid separations = 3.732 (1) and 3.569 (1) Å].

| S-EPMC2969870 | biostudies-literature

4,5-Dimethyl-1,2-diphenyl-1H-imidazole monohydrate.

Project description:In the title compound, C(17)H(16)N(2)·H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.0037 (7) Å]. The imidazole ring makes dihedral angles of 80.74 (7) and 41.62 (7)° with the phenyl rings attached to the N and C atoms, respectively. The dihedral angle between the two phenyl rings is 75.83 (8)°. Inter-molecular O-H⋯N and O-H⋯O hydrogen bonds are found in the crystal structure.

| S-EPMC3007850 | biostudies-literature

4,5-Diphenyl-2-p-tolyl-1H-imidazol-3-ium perchlorate.

Project description:In the title compound, C(22)H(19)N(2) (+)·ClO(4) (-), the three pendant aromatic rings are twisted from the plane of the imidazolium ring by dihedral angles of 17.3?(2), 65.7?(2) and 3.4?(2)°. In the crystal structure, N-H?O and N-H?(O,O) hydrogen bonds link the ions, forming a ribbon-like structure along the a axis.

| S-EPMC2977243 | biostudies-literature

4,5-Diphenyl-2-p-tolyl-1H-imidazol-3-ium nitrate.

Project description:In the cation of the title compound, C(22)H(19)N(2) (+)·NO(3) (-), the N atom in the 3-position of the imidazole is protonated. The three pendant aromatic rings are twisted from the plane of the imadazolium ring by dihedral angles of 38.1 (1), 43.74 (9) and 20.4 (1)°. In the crystal structure, N-H⋯O and N-H⋯(O,O) hydrogen bonds link the mol-ecules to form an infinite one-dimensional chain parallel to the c axis.

| S-EPMC2969798 | biostudies-literature

1H-Imidazo[4,5-f][1,10]phenanthrolin-7-ium perchlorate monohydrate.

Project description:In the title crystal structure, C(13)H(9)N(4) (+)·ClO(4) (-)·H(2)O, cations, anions and water mol-ecules are linked through inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds, forming layers parallel to (001). In addition, there are weak ?-? stacking inter-actions between the layers, involving the cations and with centroid-centroid distances in the range 3.584?(2)-3.662?(2)?Å, forming a three-dimensional network.

| S-EPMC2970354 | biostudies-literature

2-Hy-droxy-methyl-1,3-dimethyl-1H-imidazol-3-ium triiodide.

Project description:The crystal packing of the title salt, C6H11N2O(+)·I3 (-), can be described as consisting of alternating layers of cations and anions parallel to the (100) plane along the a-axis direction. The components are linked by O-H⋯I, C-H⋯I and C-H⋯O interactions, generating a three-dimensional network. The O atom deviates from the imidazol ring by 0.896 (2) Å.

| S-EPMC3793822 | 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