Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[(2,2'-bipyridine)copper(II)]-?-5-tert-butyl-isophthalato].

ABSTRACT: In the crystal structure of the title polymeric compound, [Cu(C(12)H(12)O(4))(C(10)H(8)N(2))](n), the asymmetric unit consists of one Cu(II) ion, one 5-tert-butyl-isophthalate (tbip) and one 2,2'-bipyridine (bpy) ligand. The copper(II) ion is four-coordin-ated by two N atoms from bipy and two O atoms from two tbip ligands, leading to a distorted tetrahedral coordination. Each tbip ligand adopts a bis-monodentate coordination mode to connect two symmetry-related copper(II) ions, so forming a zigzag polymer chain parallel to [001]. The tert-butyl methyl groups are disordered over two positions with occupancies of 0.506?(6)/0.494?(6).

SUBMITTER: Li XL

PROVIDER: S-EPMC2960003 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[(2,2'-bipyridine)copper(II)]-μ-5-tert-butyl-isophthalato].

Li Xiao-Ling XL Huang Miao-Ling ML

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

In the crystal structure of the title polymeric compound, [Cu(C(12)H(12)O(4))(C(10)H(8)N(2))](n), the asymmetric unit consists of one Cu(II) ion, one 5-tert-butyl-isophthalate (tbip) and one 2,2'-bipyridine (bpy) ligand. The copper(II) ion is four-coordin-ated by two N atoms from bipy and two O atoms from two tbip ligands, leading to a distorted tetrahedral coordination. Each tbip ligand adopts a bis-monodentate coordination mode to connect two symmetry-related copper(II) ions, so forming a zigz ...[more]

PMID: 21581122

Similar Datasets

catena-Poly[[aqua-(2,2'-bipyridine-κN,N')copper(II)]-μ-5-nitro-isophthalato-κO,O:O].

Project description:In the asymmetric unit of the title compound, [Cu(C(8)H(3)NO(6))(C(10)H(8)N(2))(H(2)O)](n), there are two symmetry-independent one-dimensional coordination polymers related by a non-crystallographic inversion center. Within the polymers, the Cu(II )atoms, coordinated by the water mol-ecule and the chelating 2,2'-bipyridine ligands, are bridged by 5-nitro-benzene-1,3-dicarboxyl-ate dianions which act as tridentate ligands; the carboxyl-ate groups exhibit monodentate and symmetric bidentate coordination modes. The Cu(II) atoms show a strongly distorted octa-hedral coordination geometry. In the crystal structure, the two symmetry-independent coordination polymers form another one-dimensional polymeric structure via O-H⋯O hydrogen bonds between coordinated water mol-ecules and carboxyl-ate groups.

| S-EPMC2959803 | biostudies-literature

Poly[(μ(2)-4,4'-bipyridine)bis-(μ(4)-5-tert-butyl-isophthalato)bis-(μ(3)-5-tert-butyl-isophthalato)di-μ(3)-hydroxido-penta-zinc(II)].

Project description:The asymmetric unit of the title compound, [Zn(5)(C(12)H(12)O(4))(4)(OH)(2)(C(10)H(8)N(2))](n), consists of three Zn(II) ions (one of which is located on a twofold rotation axis), two 5-tert-butyl-isophthalate ligands, one 4,4'-bipyridine ligand and one hydroxide group. The five Zn(II) ions form a penta-nuclear zinc cluster, which is further bridged by ten organic ligands, forming two-dimensional sheets. The central zinc ion of the cluster has site symmetry 2 and is octahedrally coordinated in a N(2)O(4) donor set, whereas the other four zinc atoms are tetrahedrally coordinated by four O atoms. The coordination modes for the 5-tert-butyl-isophthalates are bis-(bidentate) or bidentate-monodentate. Hydrogen bonds are formed between adjacent sheets through the hydroxide groups and the O atoms of the monodentate carboxyl-ate groups. The two tert-butyl groups are disordered over two positions with ratios of 0.64 (2):0.36 (2) and 0.85 (3):0.15 (3).

| S-EPMC2969937 | biostudies-literature

catena-Poly[[aqua-(2,2'-bipyridyl)cobalt(II)]-μ-5-nitro-isophthalato].

Project description:In the crystal structure of the title compound, [Co(C(8)H(3)NO(6))(C(10)H(8)N(2))(H(2)O)](n), there are two symmetry-independent one-dimensional coordination polymers, which are approximately related by noncrystallographic inversion symmetry. Each zigzag chain is constructed from one Co(II) ion, one O-monodentate 5-nitro-isophthalate (ndc) dianion, one N,N'-bidentate 2,2'-bipyridyl ligand and one water mol-ecule. A symmetry-generated O,O'-bidentate ndc dianion completes the cobalt coordination environment, which could be described as very distorted cis-CoN(2)O(4) octa-hedral. The bridging ndc ligands result in parallel chains running along the a direction, and O-H⋯O hydrogen bonds arising from the water mol-ecules complete the structure.

| S-EPMC2960127 | biostudies-literature

catena-Poly[[(2,2'-bipyridine-κN,N')copper(I)]-μ-cyanido-κC:N-[(2,2'-bipyridine-κN,N')copper(I)]-μ-thio-cyanato-κS:N].

Project description:The title compound, [Cu(2)(CN)(SCN)(C(10)H(8)N(2))(2)](n), contains two crystallographically independent Cu(I) atoms, each in a distorted tetra-hedral geometry. Each Cu atom is coordinated by a bidentate chelating 2,2'-bipyridine ligand. A bridging cyanide anion links the two Cu(2,2'-bipyridine) units to form a binuclear unit. Adjacent binuclear units are connected by a thio-cyanate anion into a one-dimensional helical chain along [010]. The cyanide anion is disordered, with each site occupied by both C and N atoms in an occupancy ratio of 0.61 (5):0.39 (5). The S atom of the thio-cyanate anion is also disordered over two sites, with occupancy factors of 0.61 (3) and 0.39 (3). There are π-π inter-actions between the pyridyl rings of neighbouring chains [centroid-centroid distance = 3.82 (1) Å].

| S-EPMC2959861 | biostudies-literature

catena-Poly[{μ-cyanido-bis-[(4,4'-dimethyl-2,2'-bipyridine-κN,N')copper(I)]}-μ-cyanido-copper(I)-μ-cyanido].

Project description:In the title compound, [Cu(3)(CN)(3)(C(12)H(12)N(2))(2)], two 2,2'-bipyridine N,N'-chelated Cu(I) atoms are linked by a cyanide bridge that lies about a center of inversion; the Cu(I) atom exists in a tetra-hedral coordination geometry. This dinuclear entity is linked to another Cu(I) atom that lies on a twofold rotation axis by another cyanide bridge, these bridges giving rise to the formation of a linear chain motif.

| S-EPMC2961986 | biostudies-literature

catena-Poly[[(2,2'-bipyrimidine-κN,N)diperchloratocopper(II)]-μ-4,4'-bipyridine-κN:N'].

Project description:The central CuN(4)O(2) motif of the title compound, [Cu(ClO(4))(2)(C(8)H(6)N(4))(C(10)H(8)N(2))](n), exhibits a Jahn-Teller-distorted octa-hedral geometry around the metal centre, showing a considerably long Cu-O bond distance of 2.634 (4) Å towards the second perchlorate group occupying the sixth coordination site, giving a (4+1+1)-type coordination mode. The 4,4'-bipyridine (bipy) ligands are highly twisted with respect to each other, the dihedral angle between the two pyridyl ring planes being 38.9 (2)°. The bipy ligands act as bridging ligands between [Cu(ClO(4))(2)(2,2'-bpym)] (2,2'-bpym is 2,2'-bipyrimidine) units, generating an infinite one-dimensional zigzag chain along [010]. Intra- and intermolecular C-H⋯O hydrogen bonds are present in the crystal structure.

| S-EPMC2961952 | biostudies-literature

catena-Poly[[tripyridine-nickel(II)]-μ-5-bromo-isophthalato].

Project description:The title compound, [Ni(C(8)H(3)BrO(4))(C(5)H(5)N)(3)], is the first structurally characterized complex with a transition metal coordinated by a 5-bromo-isophthalate anion. The Ni(II) ion is coordinated by three O atoms from the carboxyl-ate groups and three N atoms from three pyridine ligands in a distorted octa-hedral coordination geometry. The 5-bromo-isophthalate anion is planar within 0.057 (2) Å. The two carboxyl-ate groups of the ligand coordinate the Ni(II) ions in a chelating and monodentate mode, linking the metal atoms into infinite chains along the [010] direction. These chains are stacked together via strong π-π inter-actions between the pyridine rings [centroid-centroid distance 3.601 (4) Å], forming a three-dimensional motif.

| S-EPMC2961692 | biostudies-literature

catena-Poly[[di-tert-butyl-tin(IV)]-μ-oxalato].

Project description:The title compound, [Sn(C4H9)2(C2O4)] n , an unexpected side product in the reaction of di-tert-butyl-tin(IV) oxide with nitric acid, represents the first diorganotin(IV) oxalate to be structurally characterized. The Sn(IV) atom of the one-dimensional coordination polymer is located on a mirror plane and is coordinated by two chelating oxalate ions with two rather different Sn-O bond lengths of 2.150 (1) and 2.425 (1) Å, and two t-butyl groups with Sn-C bond lengths of 2.186 (2) and 2.190 (2) Å. The coordination polyhedron around the Sn(IV) atom is a distorted tetra-gonal disphenoid. The centrosymmetric oxalate ion also has an asymmetric coordination geometry, as reflected by the two slightly different C-O bond lengths of 1.242 (2) and 1.269 (2) Å. The chains of the polymer propagate along the b-axis direction. Only van der Waals inter-actions are observed between the chains.

| S-EPMC3998617 | biostudies-literature

catena-Poly[[aqua-(5,5'-dimethyl-2,2'-bipyridine-?N,N')copper(II)]-?-2,2'-oxydibenzoato-?O:O'].

Project description:In the title compound, [Cu(C(14)H(8)O(5))(C(12)H(12)N(2))(H(2)O)](n), the Cu(II) ion is penta-coordinated in a square-pyramidal geometry. Two N atoms of the chelating 5,5'-dimethyl-2,2'-bipyridine (dbp) ligand and two O atoms of two different 2,2'-oxydibenzoic (odb) ligands occupy the basal plane while the water O atom completes the square-pyramidal geometry at the apical site. The non-water N(2)O(2) donor atoms are nearly coplanar, with a mean deviation from the least-squares plane of 0.0518?(11)?Å and the Cu atom is displaced by 0.1507?(11)?Å from this plane towards the apical water O atom. Further coordination via the 2,2'-oxydibenzoate anions forms a one-dimensional coordination polymer extending parallel to [010]. In the crystal structure, O-H?O hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular structure.

| S-EPMC3007526 | biostudies-literature

catena-Poly[[diaqua-(2,2'-bipyridine-κN,N')nickel(II)]-μ-biphenyl-2,2'-dicarboxyl-ato-κO:O'].

Project description:In the title compound, [Ni(C(14)H(8)O(4))(C(10)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is coordinated in a slightly distorted octa-hedral geometry by two water mol-ecules, two N atoms from a 2,2'-bipyridine ligand and two O atoms from the carboxyl-ate groups of two 2,2'-biphenyl-dicarboxyl-ate (2,2'-dpa) ligands. The 2,2'-dpa ligand acts as a bridge between neighbouring Ni(II) atoms, forming one-dimensional coordination polymers along [100]. The coordinated water mol-ecules form hydrogen bonds to the carboxyl-ate O atoms of 2,2'-dpa within the same coordination polymer, and one O-H⋯π inter-action is also formed to 2,2'-dpa.

| S-EPMC2959859 | 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