Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-imidazolium hydrogen maleate.

ABSTRACT: Mol-ecules in the title compound, C(4)H(7)N(2) (+)·C(4)H(3)O(4) (-), are linked by inter-molecular N-H?O hydrogen bonds into one-dimensional chains parallel to [101]. These chains are in turn linked by an R(2) (2)(8) motif, formed by weak C-H?O hydrogen bonds, into corrugated sheets running parallel to (10). These sheets are further linked by weak inter-molecular C-H?O hydrogen bonds, forming a three-dimensional network. Intra-molecular N-H?O and O-H?O inter-actions are also present.

SUBMITTER: Liu ZX

PROVIDER: S-EPMC2968590 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Methyl-imidazolium hydrogen maleate.

Liu Zhi-Xiong ZX

Acta crystallographica. Section E, Structure reports online 20090211 Pt 3

Mol-ecules in the title compound, C(4)H(7)N(2) (+)·C(4)H(3)O(4) (-), are linked by inter-molecular N-H⋯O hydrogen bonds into one-dimensional chains parallel to [101]. These chains are in turn linked by an R(2) (2)(8) motif, formed by weak C-H⋯O hydrogen bonds, into corrugated sheets running parallel to (10). These sheets are further linked by weak inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. Intra-molecular N-H⋯O and O-H⋯O inter-actions are also present. ...[more]

PMID: 21582164

Similar Datasets

Crystal structure of 2,5-di-methyl-anilinium hydrogen maleate.

Project description:The crystal structure of the title salt, C8H12N(+)·C4H3O4 (-), consists of a 2,5-di-methyl-anilinium cation and an hydrogen maleate anion. In the anion, a strong intra-molecular O-H?O hydrogen bond is observed, leading to an S(7) graph-set motif. In the crystal, the cations and anions pack in alternating layers parallel to (001). The ammonium group undergoes inter-molecular N-H?O hydrogen-bonding inter-actions with the O atoms of three different hydrogen maleate anions. This results in the formation of ribbons extending parallel to [010] with hydrogen-bonding motifs of the types R (4) 4(12) and R (4) 4(18).

| S-EPMC4257352 | biostudies-literature

Crystal structure of 2-methyl-piperazine-1,4-diium bis-(hydrogen maleate).

Project description:In the title salt, C5H14N2 (2+)·2C4H3O4 (-), the asymmetric unit contains two independent 2-methyl-piperazinium dications, which comprise a racemic pair, and four hydrogen maleate monoanions. In the roughly planar hydrogen maleate anions, intra-molecular O-H⋯O hydrogen bonds generate S(7) rings. In the crystal, the four independent anions are linked to the 2-methyl-piperazinium cations through N-H⋯O hydrogen bonds, forming two-dimensional layered structures lying parallel to (001).

| S-EPMC4350694 | biostudies-literature

Flunarizinium hydrogen maleate.

Project description:In the cation of the title salt {systematic name: 4-[bis-(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium hydrogen maleate}, C26H27F2N2 (+)·C4H3O4 (-), the protonated piperazine ring is in a chair conformation. The dihedral angle between the 4-fluoro-phenyl rings is 68.2 (2)°. An intra-molecular O-H⋯O hydrogen bond occurs in the anion. In the crystal, N-H⋯O, C-H⋯O and C-H⋯F inter-actions are observed, which link the ions into [001] chains.

| S-EPMC3793824 | biostudies-literature

Creatininium hydrogen maleate.

Project description:In the title compound, C(4)H(8)N(3)O(+)·C(4)H(3)O(4) (-), the cations and anions are linked through N-H⋯O hydrogen bonds making a ionic pair with an R(2) (2)(8) ring motif. These ionic pairs are further connected through another N-H⋯O hydrogen bond, leading to an R(6) (6)(16) ring motif around the inversion centres of the unit cell. These approximately planar aggregates are further connected through weak van der Waals inter-actions in the unit cell. The anions have a characteristic intra-molecular O-H⋯O hydrogen bond with a self-associated ring S(7) motif.

| S-EPMC3247321 | biostudies-literature

Cytosinium-hydrogen maleate-cytosine (1/1/1).

Project description:The title organic salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (-)·C(4)H(5)N(3)O, was synthesized from cytosine base and maleic acid. An intra-molecular O-H?O hydrogen bond occurs in the hydrogen maleate anion. The crystal packing is stabilized by inter-molecular N-H?O, N-H?N and C-H?O hydrogen bonds, giving rise to a nearly planar two-dimensional network parallel to (101).

| S-EPMC2972138 | biostudies-literature

2-Methyl-imidazolium picrate.

Project description:In both ionic components of the title salt, C(4)H(7)N(2) (+)·C(6)H(2)N(3)O(7) (-), the rings are approximately planar; the maximum deviation from the mean plane is an order of magnitude larger in the picrate ring [0.0289?(10)?Å] than in the imidazolium ring [0.0028?(10)?Å. The nitro groups are twisted with respect to the six-atom ring plane; the NO(2) groups next to the oxide O atom, at the 2- and 6-positions, are twisted more [by 53.59?(9) and 18.46?(12)°] than the NO(2) group at the 4-postition, for which the twist angle is 7.28?(16)°. In the crystal, N-H?O hydrogen bonds, in which the hydroxyl O atom acts as a double acceptor and one of the O atoms from a nitro group acts as an additional acceptor, connect mol-ecules into chains along the c-axis direction. Relatively short C-H?O contacts and ?-? inter-actions between symmetry-related six-membered rings [centroid-centroid distances = 3.5938?(10) and 3.6223?(10)?Å] also occur.

| S-EPMC3050384 | biostudies-literature

Bis(2-methyl-imidazolium) chloranilate.

Project description:The asymmetric unit of the title structure, 2C(4)H(7)N(2) (+)·C(6)Cl(2)O(4) (2-), consists of one 2-methyl-imidazolium cation and one-half of a chloranilate anion, the formula unit being generated by crystallographic inversion symmetry. N-H?O hydrogen bonds link the ions into a two-dimensional framework parallel to the (102) plane. No ?-? stacking or C-H?? inter-actions are observed in the crystal structure.

| S-EPMC2914992 | biostudies-literature

Methyl-ergometrine maleate from synchrotron powder diffraction data.

Project description:The title compound {systematic name: 9,10-didehydro-N-[1-(hydroxy-meth-yl)prop-yl]-d-lysergamide maleate}, C(20)H(26)N(3)O(2) (+)·C(4)H(3)O(4) (-), contains a large rigid ergolene group. This group consists of an indole plane connected to a six-membered carbon ring adopting an envelope conformation and N-methyl-tetra-hydro-pyridine where the methyl group is in an equatorial position. In the crystal, inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which holds the cations and anions together.

| S-EPMC2972137 | biostudies-literature

Bis(2-methyl-imidazolium) fumarate dihydrate.

Project description:In the title compound, 2C(4)H(7)N(2) (+)·C(4)H(2)O(4) (2-)·2H(2)O, the asymmetric unit consists of one 2-methyl-imidazolium cation, half a fumarate dianion and one water mol-ecule. There is an inversion center at the mid-point of the central C-C bond of the fumarate anion. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. In addition, there are weak ?-? stacking inter-actions with centroid-centroid distances of 3.640?(1)?Å.

| S-EPMC2971242 | biostudies-literature

3-Benzyl-1-methyl-imidazolium picrate.

Project description:In the title salt, C(11)H(13)N(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angles between the benzene ring in the cation and the imidazolium ring and the benzene ring of the picrate anion are 113.7?(2) and 116.3?(2)°, respectively. The imidazolium ring is nearly parallel to the benzene ring of the picrate anion, the dihedral angle between the planes being 2.6?(1)°. The nitro groups in the picrate anions are disordered (occupancy ratio 0.54:0.46). The crystal packing is stabilized by weak C-H?O inter-actions between the cation-anion pairs.

| S-EPMC2970314 | 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