Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Benzene-1,3-dicarboxyl-ato-?O,O)(1,12,15,26-tetra-aza-5,8,19,22-tetra-oxa-3,4:9,10:17,18:23,24-tetra-benzocyclo-octa-cosane-?N,N,N,N)cadmium(II) benzene-1,3-dicarboxylic acid solvate.

ABSTRACT: In the title compound, [Cd(C(8)H(4)O(4))(C(36)H(44)N(4)O(4))]·C(8)H(6)O(4), the Cd(II) atom is six-coordinated by four N atoms from the macrocyclic ligand and two O atoms from a benzene-1,3-dicarboxyl-ate ligand. The complex mol-ecules are linked by N-H?O hydrogen bonds, forming a one-dimensional chain structure along the b axis. The chains are further connected through N-H?O and O-H?O hydrogen bonds between the complex mol-ecule and an uncoordinated benzene-1,3-dicarboxylic acid mol-ecule, resulting in a two-dimensional supra-molecular network.

SUBMITTER: Jia ZF

PROVIDER: S-EPMC2959761 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Benzene-1,3-dicarboxyl-ato-κO,O)(1,12,15,26-tetra-aza-5,8,19,22-tetra-oxa-3,4:9,10:17,18:23,24-tetra-benzocyclo-octa-cosane-κN,N,N,N)cadmium(II) benzene-1,3-dicarboxylic acid solvate.

Jia Zhi-Fang ZF Ma Jian-Fang JF Zhang Lai-Ping LP

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the title compound, [Cd(C(8)H(4)O(4))(C(36)H(44)N(4)O(4))]·C(8)H(6)O(4), the Cd(II) atom is six-coordinated by four N atoms from the macrocyclic ligand and two O atoms from a benzene-1,3-dicarboxyl-ate ligand. The complex mol-ecules are linked by N-H⋯O hydrogen bonds, forming a one-dimensional chain structure along the b axis. The chains are further connected through N-H⋯O and O-H⋯O hydrogen bonds between the complex mol-ecule and an uncoordinated benzene-1,3-dicarboxylic acid mol-ecule, resu ...[more]

PMID: 21580871

Similar Datasets

catena-Poly[[(1,12,15,26-tetra-aza-5,8,19,22-tetra-oxa-3,4:9,10:17,18:23,24-tetra-benzocyclo-octa-cosane-κN,N,N,N)nickel(II)]-μ-terephthalato-κO:O].

Project description:In the title compound, [Ni(C(8)H(4)O(4))(C(36)H(44)N(4)O(4))](n), the Ni(II) atom is coordinated in a distorted octa-hedral geometry by the four N atoms of the 1,12,15,26-tetra-aza-5,8,19,22-tetra-oxa-3,4:9,10:17,18:23,24-tetra-benzocyclo-octa-cosane ligand and two O atoms from the terephthalate dianions. The Ni(II) atoms, which lie on inversion centres, are linked via terephthalate ligands to form a chain structure along [101]. The structure is stabilized by three intra-molecular and one inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2959746 | biostudies-literature

1,3-Dimethyl 5-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxyl-ate.

Project description:The title compound, C(16)H(21)BO(6), has has approximate C(2) symmetry, but no crystallographically imposed mol-ecular symmetry. In the crystal, mol-ecules are packed into parallel columns along the a axis. Short inter-molecular C-H⋯O contacts stabilize the crystal packing.

| S-EPMC3274972 | biostudies-literature

Poly[octa-μ-aqua-tetra-aqua-bis(μ(4)-5-sulfonatobenzene-1,3-dicarboxyl-ato)nickel(II)tetra-sodium].

Project description:In the crystal structure of the title compound, [Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated water mol-ecules bridge the Ni(II) and Na(I) cations, forming a three-dimensional polymeric structure. Weak π-π stacking is present between parallel benzene rings [centroid-centroid distance = 3.9349 (10) Å]. Extensive O-H⋯O and C-H⋯O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2969070 | biostudies-literature

Poly[octa-μ-aqua-tetra-aqua-bis(μ-5-sul-fon-atobenzene-1,3-dicarboxyl-ato)cobalt(II)tetra-sodium].

Project description:The title compound, [CoNa(4)(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), is a three-dimensional coordination polymer bridged by sulfoisophthalate trianions and water mol-ecules. The Co(II) atom, located on an inversion centre, is coordinated by two carboxyl-ate groups of the sulfoisophthalate trianions and by four water mol-ecules in a distorted CoO(6) octa-hedral geometry. Two independent Na(I) atoms also have a distorted octa-hedral coordination geometry formed by water, carboxyl-ate O and sulfonate O atoms. An extensive O-H⋯O and C-H⋯O hydrogen-bonding network is present in the crystal structure, as well as weak π-π stacking [centroid-centroid distance = 3.9553 (11) Å].

| S-EPMC2968916 | biostudies-literature

Poly[[(methanol)(?(4)-2,4,5,6-tetra-fluoro-benzene-1,3-dicarboxyl-ato)copper(II)] methanol monosolvate].

Project description:In the title compound, {[Cu(C(8)F(4)O(4))(CH(3)OH)]·CH(3)OH}(n), two Cu(II) atoms are bridged by four carboxyl-ate groups, forming the well known paddle-wheel secondary building unit (SBU) with axial methanol ligands. In each ligand, the dihedral angles between the benzene ring and the two carboxyl-ate groups are 80.43?(17) and 62.5?(4)°. Within each SBU, the four carboxyl-ate groups come from four symmetry-equivalent tetra-fluoro-isophthalate ligands. Each tetra-fluoro-isophthalate group connects two SBUs, forming a layered structure . In the crystal, O-H?O hydrogen bonds involving the free and ligated methanol mol-ecules link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3379103 | biostudies-literature

Diethyl 7,8,18,19-tetra-methyl-2,13-dioxo-hexa-cyclo-[10.10.2.0.0.0.0]tetra-cosa-5,7,9,16,18,20-hexa-ene-23,24-dicarboxyl-ate.

Project description:The asymmetric unit of the title compound, C(30)H(34)N(4)O(6), contains two independent mol-ecules. In one independent mol-ecule, the two eth-oxy-carbonyl groups are each disordered over two conformations with occupancy ratios of 0.586 (2):0.414 (2) and 0.508 (2):0.492 (2). The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3006902 | biostudies-literature

(?-5-Carboxy-benzene-1,3-dicarboxyl-ato-?O:O)bis-[bis-(2,2'-bipyridine-?N,N')copper(II)] 5-carboxy-benzene-1,3-dicarboxyl-ate 2,2'-bipyridine solvate trideca-hydrate.

Project description:The asymmetric unit of the title complex, [Cu(2)(C(9)H(4)O(6))(C(10)H(8)N(2))(4)](C(9)H(4)O(6))·C(10)H(8)N(2)·13H(2)O, comprises two formula units. The two Cu(II) centres are bridged by a 5-carb-oxy-benzene-1,3-dicarboxyl-ate (Hbtc) ligand. Each of the metal centres is bonded to four N atoms of two bidentate 2,2'-bipyridine ligands (bpy) and one O atom of the Hbtc ligand in a highly distorted square-pyramidal geometry. The secondary structure is stabilized by a variety of O-H?O hydrogen bonds and ?-? stacking inter-actions connecting the complex cations, Hbtc anions, bpy and water mol-ecules of crystallization. Three water molecules are disordered over two positions, with site occupancy factors of ca 0.8 and 0.2.

| S-EPMC2960318 | biostudies-other

Tetra-aqua-{5-[(pyridin-2-yl-methyl-idene)amino]benzene-1,3-dicarboxyl-ato-κ(2)N,N'}nickel(II) tetra-hydrate.

Project description:The title structure, [Ni(C(14)H(8)N(2)O(4))(H(2)O)(4)]·4H(2)O, contains a mononuclear Ni(II) complex formed by a chelating bidentate Schiff base and by four Ni-bonded water mol-ecules. The Ni(II) atom is in a distorted octa-hedral coordination by two N atoms in a cis disposition [Ni-N = 2.0753 (16) and 2.1048 (16) Å] and by four water O atoms [Ni-O = 2.0500 (15)-2.0822 (15) Å]. The crystal structure is completed by four further non-coordinating water mol-ecules and all constituents are linked in a three-dimensional manner by an extensive system of 16 O-H⋯O hydrogen bonds.

| S-EPMC3393215 | biostudies-literature

Diethyl 6,9,17,20-tetra-bromo-2,13-di-oxo-hexa-cyclo-[10.10.2.0.0.0.0]tetra-cosa-5,7,9,16,18,20-hexa-ene-23,24-dicarboxyl-ate.

Project description:In the title mol-ecule, C(26)H(22)Br(4)N(4)O(6), the dihedral angle between the aromatic rings is 30.0 (1)°. One ethyl fragment is disordered between two positions in a 1:1 ratio. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and short Br⋯O contacts of 3.349 (6) Å.

| S-EPMC2968834 | biostudies-literature

Poly[diaqua-penta-kis(?(4)-benzene-1,2-dicarboxyl-ato)(?(3)-benzene-1,2-dicarboxyl-ato)tetra-thulium(III)].

Project description:The title compound, [Tm(4)(C(8)H(4)O(4))(6)(H(2)O)(2)](n), has been synthesized hydro-thermally. The asymmetric unit has four unique Tm(III) ions that are six-, seven-, eight- and nine-coordinate. The cations are inter-connected by bridging benzene-1,2-dicarboxyl-ate (BDC) anions to form an infinite two-dimensional framework, in which the BDC ligands adopt three different coordination modes. Adjacent sheets are further packed to form a three-dimensional supra-molecular framework through O-H?O hydrogen bonds.

| S-EPMC2960755 | 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