Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{?-2,5-bis-[4-(2-pyridylmethyl-amino)phen-yl]-1,3,4-oxadiazole}bis-[dichlorido-mercury(II)].

ABSTRACT: In the title centrosymmetric compound, [Hg(2)Cl(4)(C(26)H(22)N(6)O)(2)], each Hg(II) center adopts a distorted HgN(3)Cl(2) trigonal bipyramidal coordination geometry, formed by two pyridine N atoms, one imine N atom and two chloride anions. Within the organic ligand, the oxadiazole ring is nearly coplanar with the two benzene rings [dihedral angles = 5.9?(4) and 6.5?(4)°] and nearly perpendicular to the two pyridine rings with the same dihedral angle of 77.4?(4)°. The two organic ligands bridge two Hg(II) ions to form the macrocyclic complex. Inter-molecular N-H?Cl and N-H?N hydrogen bonding helps to stabilize the crystal structure.

SUBMITTER: Liu LL

PROVIDER: S-EPMC2961020 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{μ-2,5-bis-[4-(2-pyridylmethyl-amino)phen-yl]-1,3,4-oxadiazole}bis-[dichlorido-mercury(II)].

Liu Li-Li LL Hou Gui-Ge GG Ma Jian-Ping JP Huang Ru-Qi RQ Dong Yu-Bin YB

Acta crystallographica. Section E, Structure reports online 20080314 Pt 4

In the title centrosymmetric compound, [Hg(2)Cl(4)(C(26)H(22)N(6)O)(2)], each Hg(II) center adopts a distorted HgN(3)Cl(2) trigonal bipyramidal coordination geometry, formed by two pyridine N atoms, one imine N atom and two chloride anions. Within the organic ligand, the oxadiazole ring is nearly coplanar with the two benzene rings [dihedral angles = 5.9 (4) and 6.5 (4)°] and nearly perpendicular to the two pyridine rings with the same dihedral angle of 77.4 (4)°. The two organic ligands bridge ...[more]

PMID: 21202011

Similar Datasets

2,5-Bis(4-meth-oxy-phen-yl)-1,3,4-oxadiazole.

Project description:In the title compound, C(16)H(14)N(2)O(3), the essentially planar 1,3,4-oxadiazole ring [maximum deviation = 0.0021 (11) Å] is inclined at dihedral angles of 8.06 (6) and 11.21 (6)° with respect to the two benzene rings; the dihedral angle between the latter rings is 11.66 (5)°. In the crystal, short inter-molecular C⋯O inter-actions [2.9968 (15) Å] connect adjacent mol-ecules into chains propagating in [203]. The crystal structure is further stabilized by weak inter-molecular C-H⋯π inter-actions.

| S-EPMC3011497 | biostudies-literature

2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole.

Project description:In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011?Å] and makes dihedral angles of 4.10?(3) and 13.32?(4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H?N hydrogen bonds, which link the mol-ecules into an extended network.

| S-EPMC2977367 | biostudies-literature

2,5-Bis(5-methyl-pyrazin-2-yl)-1,3,4-oxadiazole.

Project description:In the title mol-ecule, C(12)H(10)N(6)O, the dihedral angle between the two pyrazine rings [planar to within 0.009?(3) and 0.018?(3)?Å] is 5.62?(15)°. They deviate from the central oxadiazole ring [planar to within 0.005?(3)?Å] by 1.52?(16) and 5.55?(17)°, respectively. In the crystal, C-H?N inter-actions involving the pyrazine rings connect mol-ecules to form zigzag supramolecular chains propagating in [010].

| S-EPMC3120570 | biostudies-literature

catena-Poly[[dianilinedichloridocopper(II)]-?(2)-2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole].

Project description:In the title compound, [CuCl(2)(C(6)H(7)N)(2)(C(12)H(8)N(4)O)](n), the Cu atom, located on an inversion center, is coordinated by four N atoms from two aniline ligands and two 2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole ligands. Two Cl atoms lying above and below the plane formed by these four N atoms inter-act weakly with the Cu atom [Cu-Cl = 2.7870?(7)?Å]. The trans 2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole ligands act as bridging ligands, linking adjacent Cu atoms and forming a one-dimensional coordination polymer. Two anilines coordinate with each Cu atom as terminal groups. The structure contains two classical N-H?Cl and two non-classical C-H?Cl hydrogen bonds.

| S-EPMC2980127 | biostudies-literature

{μ-N,N'-Bis[(E)-4-pyridylmethyl-idene]naphthalene-1,5-diamine}bis-[dichlorido(dimethyl sulfide)platinum(II)].

Project description:The title dinuclear platinum compound, [Pt(2)Cl(4)(C(22)H(16)N(4))(C(2)H(6)S)(2)], with a long bridging bipyridyl-type ligand, is centrosymmetric and the Pt(II) cation shows a slightly distorted square-planar coordination geometry. The Cl ligands are trans to each other, with a Cl-Pt-Cl angle of 178.83 (8)°. The pyridine ring forms a dihedral angle of 48.8 (2)° with the planar PtCl(2)SN unit. Within the mol-ecule, the distance between Pt atoms is 20.262 (5) Å and the N⋯N separation between the terminal pyridyl rings is 16.23 (1)Å.

| S-EPMC2960488 | biostudies-literature

2,5-Bis[2-({bis-[3-(dimethyl-aza-nium-yl)prop-yl]aza-nium-yl}meth-yl)phen-yl]-1,3,4-oxadiazole hexa-kis-(perchlorate) sesquihydrate.

Project description:In the title hydrated salt, C36H66N8O(6+)·6ClO4(-)·1.5H2O, the asymmetric unit consists of a hexa-protonated [H6L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water mol-ecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H6L](6+) cation, two strong intra-molecular N-H?N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH(+) groups of each dipropyl-enetriamine unit. In the crystal, the [H6L](6+) cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water mol-ecules are lodged. The crystal packing features a network of N-H?O and O-H?O hydrogen bonds involving the NH(+) groups of the [H6L](6+) cation, the perchlorate anions and the water mol-ecules.

| S-EPMC3589030 | biostudies-literature

N,N'-Dibenzyl-2,2'-[(1,3,4-oxadiazole-2,5-di-yl)bis-(o-phenyl-eneoxy)]diacet-amide.

Project description:The compound, C(32)H(28)N(4)O(5), which was synthesized by the reaction of 2,5-bis-(2-hydroxy-lphen-yl)-1,3,4-oxadiazole with N-benzyl-2-chloro-acetamide, lies on a twofold rotation axis which passes through the mid-point of the N-N bond and the O atom of the oxadiazole unit. The phenyl-ene and oxadiazole rings are almost coplanar [dihedral angle 1.67 (5)°]. The structure is stabilized by intra-molecular N-H⋯O and N-H⋯N hydrogen bonds.

| S-EPMC2959583 | biostudies-literature

Tris[4-(dimethyl-amino)-pyridinium][(bis-μ-dichlorido)-deca-aqua-dichlorido-dineodymium(III)] penta-chloride dihydrate.

Project description:The title compound, (C(7)H(11)N(2))(3)[Nd(2)Cl(4)(H(2)O)(10)]Cl(5)·2H(2)O, consists of three 4-(dimethyl-amino)-pyridinium cations, one of which is disordered about an inversion center, one [Nd(2)Cl(4)(H(2)O)(10)](2+) dication possessing inversion symmetry, five chloride anions, one of which is disordered over two inversion centers, and two lattice water mol-ecules. The 4-(dimethyl-amino)-pyridinium cations are protonated at the pyridine N atoms and form N-H⋯Cl hydrogen bonds with Cl(-) counter-ions. The dimethyl-amino groups (C/N/C) lie close to the plane of the pyridinium rings, making dihedral angles of 1.6 (6)° and 6.5 (3)°. In the crystal, the [Nd(2)Cl(4)(H(2)O)(10)](2+) dications are linked via O-H⋯O and O-H⋯Cl hydrogen bonds, forming sheets lying parallel to the bc plane. These sheets are linked via O-H⋯Cl hydrogen bonds, forming a three-dimensional network. The 4-(dimethyl-amino)-pyridinium cations are located in the cavities and linked to the framework by C-H⋯Cl interactions.

| S-EPMC3515105 | biostudies-literature

4,4'-(1,3,4-Oxadiazole-2,5-diyl)di-pyri-dinium dibromide monohydrate.

Project description:In the title compound, C(12)H(10)N(4)O(+)·2Br(-)·H(2)O, the cation is approximately planar: the terminal rings make a dihedral angle of 7.91?(6)° with each other and dihedral angles of 6.02?(1) and 6.50?(8)° with the central ring. It is linked to the bromide anions and water mol-ecules by N-H?Br hydrogen bonds. In addition, O-H?Br and N-H?Br hydrogen bonds link these units into a three-dimensional network. C-H?N, C-H?Br and N-H?O inter-actions are also observed.

| S-EPMC3011558 | biostudies-literature

Di-μ-chlorido-bis-{[2-(2-pyridylmethyl-amino)ethanesulfonato-κN,N',O]copper(II)}.

Project description:In the title compound, [Cu(2)(C(8)H(11)N(2)O(3)S)(2)Cl(2)], the Cu atoms are five-coordinated in a distorted square-pyramidal geometry by three donor atoms of the deprotonated anionic 2-(2-pyridylmethyl-amino)ethanesulfonate (pmt) ligand and two Cl atoms. The Cl atoms bridge two Cu atoms, giving a binuclear structure; the centroid of the Cu(2)Cl(2) ring lies on a crystallographic center of inversion. The complex is stabilized by hydrogen bonds and π-π stacking inter-actions [average inter-planar distance = 3.4969 (1) Å and ring-centroid separation distance = 4.1068 (4) Å].

| S-EPMC2960365 | 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