Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[aqua-[2-(6-chloro-pyridin-3-yl)acetato-?O]sodium]-di-?-aqua] monohydrate].

ABSTRACT: The crystal structure of the title compound, {[Na(C(7)H(5)ClNO(2))(H(2)O)(3)]·H(2)O}(n), features polymeric chains along [010]. The Na(+) cation is octa-hedrally coordinated by four bridging water mol-ecules, a terminal water mol-ecule and an O atom derived from a monodentate carboxyl-ate ligand. Adjacent polyhedra share two O?O edges. The polymeric chains are linked into a three-dimensional network via O-H?O and O-H?N hydrogen bonds.

SUBMITTER: Mi Y

PROVIDER: S-EPMC3344329 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[aqua-[2-(6-chloro-pyridin-3-yl)acetato-κO]sodium]-di-μ-aqua] monohydrate].

Mi Yuwei Y Sun Dezhi D Zeng Suyuan S Yan Nana N

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

The crystal structure of the title compound, {[Na(C(7)H(5)ClNO(2))(H(2)O)(3)]·H(2)O}(n), features polymeric chains along [010]. The Na(+) cation is octa-hedrally coordinated by four bridging water mol-ecules, a terminal water mol-ecule and an O atom derived from a monodentate carboxyl-ate ligand. Adjacent polyhedra share two O⋯O edges. The polymeric chains are linked into a three-dimensional network via O-H⋯O and O-H⋯N hydrogen bonds. ...[more]

PMID: 22590095

Similar Datasets

Poly[??-aqua-??-(2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-oxoimidazolidin-1-yl}acetato)-sodium].

Project description:In the title compound, [Na(C??H??ClN?O?)(H?O)](n), there are two independent Na(I) ions, one of which lies on an inversion center and is coordinated in a slightly distorted octa-hedral environment. The other Na(I) ion lies on a twofold rotation axis and is cooordinated in a slightly distorted trigonal-bipyramidal coordination environment. In the organic ligand, the imidazolidine ring adopts a half-chair conformation. The Na(I) ions bridge organic ligands and water mol-ecules, forming a two-dimensional structure parallel to (100). There are inter-molecular O-H?O and weak C-H?O hydrogen bonds within the two-dimensional structure.

| S-EPMC3393166 | biostudies-literature

catena-Poly[[bis-(acetato-?O)aqua-copper(II)]-?-5-(pyridin-3-yl)pyrimidine-?N:N].

Project description:In the title compound, [Cu(CH(3)CO(2))(2)(C(9)H(7)N(3))(H(2)O)](n), the Cu(II) ion is penta-coordinated in a square-pyramidal geometry. The N atoms of the two chelating symmetry-related 5-(pyridin-3-yl)pyrimidine ligands and the O atoms of the two monodentate acetate anions are nearly coplanar, with a mean deviation from the least-squares plane of 0.157?(2)?Å and the Cu(II) ion is displaced by 0.050?(3)?Å from this plane towards the apical water O atom. Bridging through the bis-monodentate 5-(pyridin-3-yl)pyrimidine ligand forms a one-dimensional coordination polymer extending parallel to [010]. In the crystal, O-H?O hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular structure parallel to (100). The crystal studied was an inversion twin with a 0.57?(3):0.43?(3) domain ratio.

| S-EPMC3254350 | biostudies-literature

catena-Poly[[[bis-(acetato-?(2)O,O')aqua-cadmium]-?-[(pyridin-3-yl)(pyridin-4-yl)methanone]-?(2)N:N'] dihydrate].

Project description:In the title complex, {[Cd(CH(3)COO)(2)(C(11)H(8)N(2)O)(H(2)O)]·2H(2)O}(n), the Cd(II) ion adopts an O(5)N(2) penta-gonal-bipyramidal coordination geometry with four acetate O atoms and one water O atom at the equatorial sites and two pyridine N atoms at the axial sites. The (pyridin-3-yl)(pyridin-4-yl)methanone ligand acts in a ?(2)-bridging mode, linking the metal atoms, leading to an infinite chain along [-110]. O-H?O hydrogen bonds involving the lattice water mol-ecules connect these chains into a three-dimensional network.

| S-EPMC3379068 | biostudies-literature

catena-Poly[[aqua-(ethyl anilinophospho-nato-?O)sodium(I)]-di-?-aqua].

Project description:In the title compound, [Na(C(8)H(11)NO(3)P)(H(2)O)(3)](n), the sodium cation is octa-hedrally coordinated by five water mol-ecules and one O-bonded ethyl anilinophospho-nate anion. Four of the water mol-ecules bridge to adjacent sodium ions, resulting in an infinite chain of edge-sharing NaO(6) polyhedra. A network of N-H?O and O-H?O hydrogen bonds helps to stabilize the crystal structure.

| S-EPMC2960560 | biostudies-literature

catena-Poly[[[aqua-[(2-hydroxy-phen-yl)acetato-?O,O']lead(II)]-?(3)-[(2-hydroxy-phen-yl)acetato-?O:O,O':O']] monohydrate].

Project description:In the title complex, {[Pb(C(8)H(7)O(3))(2)(H(2)O)]·H(2)O}(n), the Pb(II) atom is seven-coordinated by six carboxyl-ate O atoms from four different 2-hydroxy-phenyl-acetate (2-dph) ligands and one water mol-ecule, displaying a hemidirected irregular geometry, with the empty side of the metal ion capped by a benzene ring forming a Pb?? contact [Pb?centroid distance = 3.342?(2)?Å]. One 2-dph ligand functions in a bridging mode and connects Pb ions into a linear chain. The crystal packing is governed by intra- and inter-molecular O-H?O hydrogen bonds.

| S-EPMC2983550 | biostudies-literature

catena-Poly[(di-aqua-cadmium)-?-iminodi-acetato-?(4) O,N,O':O''].

Project description:In the title compound, [Cd(C4H5NO4)(H2O)2] n , the Cd(II) atom exhibits a distorted octa-hedral coordination geometry, defined by one N atom and three O atoms from two iminodi-acetate (IDA) ligands and two water molecules. The tridentate IDA ligand additionally bridges via one of its carboxylate O atoms to another Cd(II) atom, thus forming a zigzag chain along [001]. A three-dimensional network is completed by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC3772440 | biostudies-literature

Poly[aqua-bis-[?(2)-2-(pyridin-4-ylsulfan-yl)acetato]-zinc].

Project description:The crystal structure of the title complex, [Zn(C(7)H(6)NO(2)S)(2)(H(2)O)](n), consists of extended layers parallel to (001) with 2-(pyridin-4-ylsulfan-yl)acetate ligands bridging the Zn(II) atoms. The Zn(II) atom shows a distorted penta-gonal-bipyramidal coordination environment. The Zn(II) and one O atom are situated on a crystallographic twofold rotation axis. In the crystal, intra-layer O-H?O hydrogen-bond inter-actions help to consolidate the coordination layer.

| S-EPMC3151789 | biostudies-literature

catena-Poly[[[di-aqua-cobalt(II)]-bis-{?-2-[3-(4-carboxyl-atophen-yl)pyridin-1-ium-1-yl]acetato}] dihydrate].

Project description:In the title polymeric coordination compound, {[Co(C14H10NO4)2(H2O)2]·2H2O} n , the Co(II) ion resides on an inversion center and exhibits a distorted o-cta-hedral coordination geometry defined by four O atoms from two pairs of equivalent monodentate carboxyl-ate groups from 2-[3-(4-carboxyl-atophen-yl)pyridin-1-ium-1-yl]acetate ligands and by two O atoms from two equivalent coordinating water mol-ecules. The zwitterionic di-carboxyl-ate ligands serve as bridges with two monodentate carboxyl-ate and the metal ions are linked by double bridges, forming polymeric chains running along [01-1]. The chains are further stabilized and associated into layers parallel to (011) through intra- and inter-chain hydrogen bonding and ?-? stacking inter-actions [inter-planar and centroid-centroid distances of 3.658?(3)?Å and 3.653?(2)?Å, respectively].

| S-EPMC3647799 | biostudies-other

catena-Poly[[(ethanol-?O)sodium(I)]-di-?-aqua-[(rac-2'-hydr-oxy-1,1'-binaphthyl-2-yl phosphato-?O)sodium]-tri-?-aqua].

Project description:The asymmetric unit of the polymeric title compound, [Na(2)(C(20)H(13)O(5)P)(C(2)H(6)O)(H(2)O)(5)](n), consists of two Na(I) ions, one 2'-hydr-oxy-1,1'-binaphthyl-2-yl phosphate anion, one ethanol ligand and five water molecules of crysallization. Each Na(I) ion has a distorted octa-hedral coordination geometry. The phosphate anion coordinates to one Na(I) ion and the ethanol mol-ecule coordinates to the other. The five water mol-ecules bridge the Na(I) ions, forming an inorganic chain structure along the b axis. The chains are connected by O-H?O hydrogen bonds into an organic-inorganic hybrid layer parallel to (001).

| S-EPMC2969360 | biostudies-literature

catena-Poly[[[aqua(7-hydroxy-2H-1-benzopyran-2-one)sodium]-di-μ-aqua] 2-oxo-2H-1-benzopyran-7-olate monohydrate].

Project description:The asymmetric unit of the title compound, {[Na(C(9)H(6)O(3))(H(2)O)(3)](C(9)H(5)O(3))·H(2)O}(n), contains two crystallographically independent Na atoms, two 7-hy-droxy-coumarin ligands, six coordinated water mol-ecules, two 7-hy-droxy-coumarin anions and two uncoordinated water mol-ecules. Both Na atoms exhibit a distorted octa-hedral coordination geometry and are coordinated by five water O atoms and the terminal O atom from a 7-hy-droxy-coumarin ligand. Four of the water mol-ecules are bridging, whereas the fifth is terminal. Na-O bond distances are in the range 2.288 (2)-2.539 (2) Å. In the chains, extending parallel to [100], adjacent Na atoms are separated by 3.60613 (7) Å. The uncoordinated water mol-ecules and 7-hy-droxy-coumarin phenolate anions are located between the chains and are hydrogen bonded to the chains.

| S-EPMC3006948 | 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