Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wen B

PROVIDER: S-EPMC3238662 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wen Bo B Hou Guang-Feng GF Yu Ying-Hui YH Gao Jin-Sheng JS

Acta crystallographica. Section E, Structure reports online 20111112 Pt 12

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. ...[more]

PMID: 22199553

Similar Datasets

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

3,3'-Dibenzyl-1,1'-[naphthalene-1,4-diylbis(methyl-ene)]di(1H-imidazol-3-ium) bis-(hexa-fluoro-phosphate).

Project description:In the title N-heterocyclic carbene compound, C(32)H(30)N(4) (2+)·2PF(6) (-), the mean plane of the naphthalene ring system makes dihedral angles of 79.15?(15) and 76.85?(16) with the imidazole rings and 56.15?(19) and 80.56?(16)° with the benzene rings. An intra-molecular C-H?N hydrogen bond occurs. The crystal structure is stabilized by C-H?F inter-actions. In addition, ?-? inter-actions [centroid-centroid distances = 3.848?(1) and 3.574?(3)?Å] are observed. The nine equatorial F atoms in the two PF(6) (-) anions were disordered over two positions with occupancy ratios of 0.545?(10):0.455?(10) and 0.793?(11):0.207?(11) in the two anions.

| S-EPMC3200774 | biostudies-literature

Bis[1,1'-(1,3-phenyl-enedimethyl-ene)di(1H-imidazol-3-ium)] ?-octa-molybdate.

Project description:In the title compound, (C(14)H(16)N(4))(2)[Mo(8)O(26)], the ?-octa-molybdate anion is centrosymmetric. N-H?O hydrogen bonds link the diimidazolium cations and the polyoxidoanions into a chain structure along [100]. ?-? inter-actions between the imidazole rings and between the imidazole and benzene rings [centroid-centroid distances = 3.611?(2) and 3.689?(3)?Å, respectively] connect the chains.

| S-EPMC3254318 | biostudies-other

Poly[[di-?(4)-4,4'-oxydiphthalato-tetrakis[?(2)-1,1'-(p-phenyl-enedimethyl-ene)di-1H-imidazole]tetra-copper(II)] monohydrate].

Project description:In the title compound, {[Cu(4)(C(16)H(6)O(9))(2)(C(14)H(14)N(4))(4)]·H(2)O}(n), the water mol-ecule is disordered over two positions; site-occupancy factors were fixed at 0.25. The Cu(II) atom exhibits a square-planar coordination geometry with two O atoms of the two 4,4'-oxydiphthalate ligands and two N atoms of the two 1,4-bis-(imidazol-1-ylmeth-yl)benzene groups. A three-dimensional honeycomb framework structure is formed. Aromatic ?-? stacking inter-actions are observed, with a centroid-centroid distance of 3.373?(5)?Å.

| S-EPMC2915105 | biostudies-literature

Di-μ-chlorido-bis-[dichlorido(3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium-κN)copper(II)] dihydrate.

Project description:The structure of the centrosymmetric title compound, [Cu(2)Cl(6)(C(10)H(15)N(4))(2)]·2H(2)O, consists of a dimeric [{(HMe(4)bpz)CuCl(3)}(2)] unit (HMe(4)bpz is 3,3',5,5'-tetra-methyl-4,4'-bipyrazol-1-ium) with two solvent water molecules. Each [HMe(4)bpz](+) cation is bonded to a CuCl(3) unit through a Cu-N dative bond, effectively making square-planar geometry at the Cu atom. Two of these units then undergo a face-to-face dimerization so that the Cu atoms have a Jahn-Teller distorted square-pyramidal geometry with three chlorides and an N atom in the basal plane and one chloride weakly bound in the apical position. Several N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds form a three-dimensional network.

| S-EPMC2961969 | biostudies-literature

2,2',4,4',6,6'-Hexamethyl-biphenyl-3,3',5,5'-tetra-yltetra-methyl-ene tetra-acetate.

Project description:The title compound, C(30)H(38)O(8), possess C(i) symmetry, with the inversion center situated at the center of the bridging C-C bond. In the crystal structure, mol-ecules are held together by C-H?O inter-actions.

| S-EPMC2969695 | biostudies-literature

Crystal structure of di-chlorido-bis-(1,3,4,5-tetra-methyl-1H-imidazol-2-ium-2-thiol-ate-κS)nickel(II).

Project description:In the mol-ecular structure of the title compound, [NiCl2(C7H12N2S)2], the Ni(II) atom has a distorted tetra-hedral geometry, coordinated by two Cl atoms [Ni-Cl= 2.2336 (6) Å] and two thione S atoms [Ni-S= 2.3024 (6) Å]. The angles at the Ni(II) cation, which lies on a twofold rotation axis, are Cl-Ni-Cl = 115.58 (3)° and S-Ni-S = 94.55 (3)°. All other angles at the central Ni(II) atom range from 109.46 (2) to 112.96 (2)°. The C-S-Ni angle is 99.91 (6)°. The planes of two imidazolium rings make a dihedral angle of 70.56 (6)°.

| S-EPMC4571377 | biostudies-literature

Poly[bis-{3,3'-[(biphenyl-4,4'-di-yl)dimethyl-ene]diimidazol-1-ium} ?-octa-molybdate(VI)].

Project description:In the title compound, {(C(20)H(20)N(4))(2)[Mo(8)O(26)]}(n), the asymmetric unit contains half of an [Mo(8)O(26)](4-) anion and one 3,3'-[(biphenyl-4,4'-di-yl)dimethyl-ene]diimidazol-1-ium dication. In the anion, four distorted [MoO(6)] octa-hedra are connected via edge-sharing, forming an [Mo(4)O(13)](2-) building block, composed of Mo-O(t), Mo-O(?2), Mo-O(?3) and Mo-O(?4) units, with Mo-O distances ranging from 1.6858?(15) to 2.4785?(13)?Å. The ?-type [Mo(8)O(26)](4-) anion is completed by crystallographic inversion symmetry and is linked into an infinite chain along [100] by corner-sharing. The anionic chains and the cations are joined by N-H?O hydrogen bonds, generating layers extending parallel to (001).

| S-EPMC2983868 | biostudies-other

Structure of 2,2'-(5-<i>tert</i>-butyl-1,3-phenyl-ene)bis-(1-pentyl-1<i>H</i>-benzimidazol-3-ium) tetra-chlorido-mercurate(II).

Project description:In the title salt, (C34H44N4)[HgCl4], the [C34H44N4]2+ cations and [HgCl4]2- anions are linked by N-H⋯Cl hydrogen bonds. One of the two n-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733 (18) and 0.267 (18). The geometry around the HgII atom in the [HgCl4]2- anion is distorted tetra-hedral, with bond angles ranging from 98.16 (3) to 120.68 (3)°. In the [HgCl4]2- anion, there are two short Hg-Cl bonds [2.4120 (9) and 2.4171 (11) Å], one inter-mediate Hg-Cl bond [2.4716 (12) Å] and one long Hg-Cl bond [2.6579 (13) Å] for the Cl atom involved in a trifurcated hydrogen bond as an acceptor, including two N-H⋯Cl⋯H-N interactions as well as one C-H⋯Cl inter-action. There are several C-H⋯Cl inter-actions, with C⋯Cl distances ranging from 3.492 (3) to 3.796 (3) Å. These link the cations and anions into a zigzag chain along the c-axis direction. In addition, there are Cl⋯Cl halogen bonds, as well as π-π inter-actions, with centroid-to-centroid distances of 3.4765 (18) Å, which link one of the two benzimidazole moieties into dimeric units.

| S-EPMC5382622 | 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

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