Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(5-amino-4-amino-carbonyl-1H-imid-azol-3-ium) (5-amino-4-amino-carbonyl-1H-imidazol-3-ium-κO)-di-μ-chlorido-hepta-chlorido-dibismuth(III) mono-hydrate.

ABSTRACT: The title compound, (C(4)H(7)N(4)O)(2)[Bi(2)Cl(9)(C(4)H(7)N(4)O)]·H(2)O, was prepared by the reaction of bis-muth trichloride and 5-amino-1H-imidazole-4-carboxamide in a dilute HCl medium. The asymmetric unit contains two 5-amino-4-amino-carbonyl-1H-imidazol-3-ium cations, one edge-shared non-centrosymmetric biocta-hedral [Bi(2)C1(9)(C(4)H(7)N(4)O)](2-) dianion and a water mol-ecule. In the dianion, the planar 5-amino-4-amino-carbonyl-1H-imidazol-3-ium ligand occupies an equatorial site and is inclined at an angle of 75.7 (2)° to the Bi(2)(μ-C1)(2) plane. The salt forms a three-dimensional network arising from hydrogen bonds between cations, anions and water mol-ecules.

SUBMITTER: Lv LP

PROVIDER: S-EPMC2961098 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of 1H,1'H-[2,2'-biimid-azol]-3-ium hydrogen tartrate hemi-hydrate.

Project description:In the crystal of the title hydrated salt, C6H7N4 (+)·C4H5O6 (-)·0.5H2O, the bi-imidazole monocation, 1H,1'H-[2,2'-biimidazol]-3-ium, is hydrogen bonded, via N-H?O, O-H?O and O-H?N hydrogen bonds, to the hydrogen tartrate anion and the water mol-ecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C-H?O hydrogen bonds, forming a three-dimensional structure. There are also C=O?? inter-actions present [O?? distances are 3.00?(9) and 3.21?(7)?Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6?(2)°.

| S-EPMC4257278 | biostudies-literature

catena-Poly[2-methyl-1H-imidazol-3-ium [(aqua-chloridocadmate)-di-μ-chlorido]].

Project description:The asymmetric unit of the title compound, {(C(4)H(7)N(2))[CdCl(3)(H(2)O)]}(n), contains one 1-methyl-1H-imidazol-3-ium cation, one Cd(II) atom, three Cl atoms and one water mol-ecule. Adjacent Cd ions are inter-connected alternately by paired Cl(-) bridges to generate an infinite one-dimensional coordination chain along the b axis. In the chain, the crystallographically unique Cd(II) atom, with a distorted octa-hedral geometry, is coordinated by five Cl(-) ions and one water mol-ecule. Intra-chain O-H⋯Cl hydrogen bonding and N-H⋯Cl hydrogen bonding between the cations and the anionic chains consolidate the crystal packing.

| S-EPMC3246997 | biostudies-literature

2,2'-(Imino-dimethyl-ene)dibenz-imid-azol-ium bis-(perchlorate) methanol solvate.

Project description:In the title compound, C(16)H(17)N(5) (2+)·2ClO(4) (-)·CH(3)OH, the dihedral angle between the two benzimidazolium ring systems is 34.6 (1)°. The anions and solvent mol-ecules are linked to the cation by N-H⋯O hydrogen bonds. In the crystal structure, the combination of N-H⋯O and O-H⋯O hydrogen bonds results in two-dimensional layers running parallel to the (010) plane; these are in turn linked by π-π inter-actions, forming a three-dimensional network.

| S-EPMC2961233 | biostudies-literature

Crystal structure of bis-(2-methyl-1H-imidazol-3-ium) tetra-chlorido-cobaltate(II).

Project description:The asymmetric unit of the title compound, (C4H7N2)2[CoCl4], consists of two 2-methyl-imidazolium cations and one tetra-hedral [CoCl4](2-) anion. The anions and cations inter-act through N-H⋯Cl hydrogen bonds to define layers with a stacking direction along [100]. Besides van der Waals forces, weak C-H⋯Cl inter-actions between these layers stabilize the crystal packing.

| S-EPMC4555386 | 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

Crystal structure of 1,3-bis-(2,6-diiso-propyl-phen-yl)-4,5-dimethyl-1H-imid-azol-3-ium bromide di-chloro-methane disolvate.

Project description:The title solvated salt, C29H41N2 (+)·Br(-)·2CH2Cl2 was obtained from the reaction of the Arduengo-type carbene 1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene with Si2Br6 in di-chloro-methane. The complete cation is generated by a crystallographic mirror plane and the dihedral angle between the five-membered ring and the benzene ring is 89.8?(6)°; the dihedral angle between the benzene rings is 40.7?(2)°. The anion also lies on the mirror plane and both di-chloro-methane mol-ecules are disordered across the mirror plane over two equally occupied orientations. In the crystal, the cations are linked to the anions via C-H?Br hydrogen bonds.

| S-EPMC4257239 | biostudies-literature

2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride.

Project description:In the crystal structure of the title compound, C(4)H(8)N(3)O(+)·Cl(-), N-H⋯Cl hydrogen bonds link the components into chains along [010]. In addition, weak C-H⋯Cl hydrogen bonds link the chains into a two-dimensional network perpendicular to (001).

| S-EPMC3393986 | biostudies-literature

3-[1-(3-Hydroxy-benz-yl)-1H-benz-imid-azol-2-yl]phenol.

Project description:In the title mol-ecule, C(20)H(16)N(2)O(2), the benzimidazole mean plane forms dihedral angles of 56.55 (3) and 81.65 (4)° with the two benzene rings. In the crystal structure, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into layers parallel to the (101) plane. The crystal packing also exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2969736 | biostudies-literature

1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

| S-EPMC3238662 | 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

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