Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-{2-[3-(2-Ammonioacetamido)propanamido]ethyl}-1H-imidazol-3-ium dichloride.

ABSTRACT: Mol-ecules of the title compound, Gly-β-Ala-Histamine dihydro-chloride, C(10)H(19)N(5)O(2) (2+)·2Cl(-), are linked by N-H⋯O and N-H⋯Cl hydrogen bonds into two-dimensional polymeric sheets parallel to the (011) plane, forming a stacked structure along the a axis. The parallel layers are also inter-linked alternately by different N-H⋯Cl hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Selmeczi K

PROVIDER: S-EPMC2959922 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(2-ethyl-1H-imidazol-3-ium) tetra-chloridocuprate(II).

Project description:In the crystal structure of the title salt, (C(5)H(9)N(2))(2)[CuCl(4)], the organic cations and the tetrahedral [CuCl(4)] anions are linked into a three-dimensional network by N-H?Cl hydrogen bonds. The two 2-ethyl imidazolium cations in the asymmetric unit differ in the orientation of the ethyl group, with N-C-C-C torsion angles of -170.0?(4) and -87.6?(5)°.

| S-EPMC3050348 | biostudies-literature

1-Carboxy-methyl-2-ethyl-4-methyl-1H-imidazol-3-ium chloride monohydrate.

Project description:In the title compound, C(8)H(13)N(2)O(2) (+)·Cl(-)·H(2)O, the methyl C atom of the ethyl group is slightly out of the imidazole plane, with an N-C(ring)-C-C torsion angle of -15.1?(2)°. In the crystal structure, there are strong inter-molecular hydrogen-bonding inter-actions between the solvent water mol-ecule, the free chloride anion and the organic cation, resulting in a two-dimensional supra-molecular network in the ab plane.

| S-EPMC2977760 | 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

Bis(2-ethyl-1H-imidazol-3-ium) tetra-chloridomercurate(II).

Project description:The crystal structure of the title compound, (C(5)H(9)N(2))(2)[HgCl(4)], consists of discrete tetra-chloridomercurate dications and discrete 2-methyl-imidazolium cations. In the complex anion, the mercury cations are coordinated by four chloride anions with distances between 2.4568?(14) and 2.4936?(15)?Å in a tetra-hedral geometry. In the crystal, the cations and anions are connected by inter-molecular N-H?Cl inter-actions. One C atom of the cations is disordered and was refined using a split model (occupancy ratio 0.75:0.25).

| S-EPMC3274882 | biostudies-other

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-other

1-Ethyl-3-methyl-1H-imidazol-3-ium spiro-penta-borate.

Project description:In the anion of the title compound, (C6H11N2)[B5O6(OH)4], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261?(3)/0.101?(2) and 0.160?(3)/0.109?(2)?Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C-N-C-C torsion angle) by 71.4?(2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O-H?O hydrogen bonds, forming channels along the a-axis direction. The cations are situated in the channels, forming C-H?O hydrogen bonds with the anions.

| S-EPMC3998326 | biostudies-other

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

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

Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination.

Project description:The crystal structure of the title mol-ecular salt, C5H11N3 (+)·2Cl(-), was redetermined. In comparison with the previous study [Bonnet et al. (1975 ?). Bull. Soc. Fr. Mineral. Crist. 98, 208-213.], the positions of some H atoms were corrected, allowing a more accurate description of the hydrogen-bonding scheme. In addition, the absolute structure was also determined. The maximum differences in terms of bond lengths and angles between the two determinations are 0.022?Å and 1.43°, respectively. The organic cation display a anti conformation of the protonated amine function and the imidazolium ring. The dihedral angle between the imidazolium plane and the plane through the C-C-N side chain is 29.58?(3)°. In the crystal, the organic cations and Cl(-) anions are stacked alternatively into layers parallel to (100). N-H?Cl hydrogen bonds between all H atoms of the ammonium group and both N-H groups of the imidazolium ring and the Cl(-) acceptor anions lead to the linkage of organic and inorganic layers into a three-dimensional network.

| S-EPMC4645084 | biostudies-other

(S)-2-(2-Pyrrolidinio)-1H-benzimidazol-3-ium dichloride monohydrate.

Project description:In the title compound, C(11)H(15)N(3) (2+)·2Cl(-)·H(2)O, one N atom of the imidazole ring and the N atom of the pyrrolidine ring are protonated. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring benzimidazole systems [centroid-centroid duistance = 3.712?(2)?Å]. The crystal structure is further stabilized by inter-molecular N-H?Cl, O-H?Cl and N-H?O hydrogen bonds.

| S-EPMC2969638 | biostudies-literature

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