Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[diaqua-cadmium(II)]-bis-[?-3,5-bis-(isonicotinamido)benzoato]] tetra-hydrate].

ABSTRACT: The title compound, {[Cd(C(19)H(13)N(4)O(4))(2)(H(2)O)(2)]·4H(2)O}(n) or {[Cd(BBA)(2)(H(2)O)(2)]·4H(2)O}(n), where BBA is 3,5-bis-(iso-nicotin-amido)-benzoate, is isotypic with its Mn isologue [Chen et al. (2009 ?). J. Coord. Chem.62, 2421-2428]. The cation sits on a twofold axis and is six-coordinated in a slightly distorted octa-hedral geometry; the polyhedra are linked into zigzag chains, which are further connected by N-H?O, O-H?O and O-H?N hydrogen bonds as well as ?-? inter-actions [centroid-centroid distance of 3.639?(2)?Å], giving a three-dimensional supra-molecular framework.

SUBMITTER: Chen MS

PROVIDER: S-EPMC2983169 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[diaqua-cadmium(II)]-bis-[μ-3,5-bis-(isonicotinamido)benzoato]] tetra-hydrate].

Chen Man-Sheng MS Deng Yi-Fang YF Zhang Chun-Hua CH Kuang Dai-Zhi DZ

Acta crystallographica. Section E, Structure reports online 20100911 Pt 10

The title compound, {[Cd(C(19)H(13)N(4)O(4))(2)(H(2)O)(2)]·4H(2)O}(n) or {[Cd(BBA)(2)(H(2)O)(2)]·4H(2)O}(n), where BBA is 3,5-bis-(iso-nicotin-amido)-benzoate, is isotypic with its Mn isologue [Chen et al. (2009 ▶). J. Coord. Chem.62, 2421-2428]. The cation sits on a twofold axis and is six-coordinated in a slightly distorted octa-hedral geometry; the polyhedra are linked into zigzag chains, which are further connected by N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds as well as π-π inter-actions [centro ...[more]

PMID: 21587402

Similar Datasets

catena-Poly[(diaqua-strontium)-bis-(?-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822?(13)-2.8113?(13)?Å. C-H?O and O-H?O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

catena-Poly[[[tetra-aqua-cadmium(II)]-?-4,4'-bipyridine] fumarate tetra-hydrate].

Project description:In the crystal structure of the title compound, [Cd(C(10)H(8)N(2))(H(2)O)(4)](C(4)H(2)O(4))·4H(2)O, the Cd(II) atom, on an inversion centre, is six-coordinated by four O atoms from four water mol-ecules and two N atoms from 4,4'-bpy mol-ecules in a distorted octa-hedral coordination geometry. Weak C-H?O inter-actions between uncoordinated carboxyl-ate O atoms of fumaric acid and water mol-ecules contribute to the crystal packing stability.

| S-EPMC2915124 | biostudies-literature

catena-Poly[diquinolinium [[diaqua-cobaltate(II)]-?-cyclo-tetra-phosphato] hexa-hydrate].

Project description:The cyclo-tetra-phosphate anion, [P(4)O(12)](4-), forms the title complex with cobalt(II) and quinolinium, {(C(9)H(8)N)(2)[Co(P(4)O(12))(H(2)O)(2)]·6H(2)O}(n). In the complex anion, the Co(II) ion, lying on an inversion center, is surrounded by four phosphate O atoms and two water mol-ecules in a slightly distorted octa-hedral geometry. The crystal structure consists of anionic ribbons of formula {[Co(P(4)O(12))(H(2)O)(2)](2-)}(n) extending along [100]. A network of O-H?O, N-H?O and C-H?O hydrogen bonds consolidates the crystal packing.

| S-EPMC2979730 | biostudies-literature

catena-Poly[[[bis-(4-methyl-benzoato-?O,O')zinc(II)]-?-4,4'-bipyridine-?N:N'] tetra-hydrate].

Project description:The asymmetric unit of the title compound, {[Zn(C(7)H(7)O(2))(2)(C(10)H(8)N(2))]·4H(2)O}(n), contains a highly distorted octa-hedral Zn(II) metal center strongly coordinated by two N atoms of two 4,4'-bipyridine (4,4'-bipy) ligands and chelated by two 4-methyl-benzoate anions. The crystallographic inversion center and glide plane present at the center of the C-C single bond of 4,4'-bipy, along with the cis coordination motif of the 4,4'-bipy, lead to one-dimensional zigzag chains. There are a large number of water mol-ecules in the crystal structure, which also form one-dimensional chains through O-H?O hydrogen bonds.

| S-EPMC2968618 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(?-4-fluoro-benzoato-?O:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four ?(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071?(2)-2.130?(2)?Å. All adjacent O-Co-O angles are in the range 84.78?(6)-95.22?(6)° and opposite angles are 180.0°. Each ?-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of ?-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are ?-stacked, with centroid-centroid distances of 3.432?(4)?Å.

| S-EPMC2977626 | biostudies-literature

catena-Poly[[[diaqua-bis(1H-indole-3-acetato-?O)cobalt(II)]-?-4,4'-bipyridine-?N:N'] tetra-hydrate].

Project description:The 4,4'-bipyridine spacer in the title compound, [Co(C(10)H(8)NO(2))(2)(C(10)H(8)N(2))(H(2)O)(2)]·4H(2)O, links the diaqua-cobalt(II) dicarboxyl-ate units into a linear chain; the metal atom lies on a center of inversion in an octa-hedral environment. The coordinated and uncoordinated water mol-ecules inter-act through O-H?O hydrogen bonds to form a three-dimensional network.

| S-EPMC2961286 | biostudies-literature

catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-?O]manganese(II)]-?-aqua] dihydrate].

Project description:In the crystal structure of the title complex, {[Mn(C(11)H(14)NO(2))(2)(H(2)O)(3)]·2H(2)O}(n), the two independent Mn(II) atoms are located on a centre of symmetry and coordinated by two 4-(diethyl-amino)benzoate (DEAB) anions and two water mol-ecules in the basal plane while another water mol-ecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.33?(13) and 10.90?(9)° and the benzene rings are oriented at a dihedral angle of 67.88?(6)°. The uncoordinated water mol-ecules link the carboxyl-ate groups and coordinated water mol-ecules via O-H?O hydrogen bonding. Weak C-H?? inter-actions are also found in the crystal structure.

| S-EPMC2969307 | biostudies-literature

Tetra-aqua-bis-(3,5-dinitro-benzoato-?O (1))magnesium tetra-hydrate.

Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H?O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

| S-EPMC3629491 | biostudies-literature

Tetra-kis(?(2)-2-methyl-3,5-dinitro-benzoato-?O:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu?Cu distance of 2.6540?(4)?Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09?(16) and 45.55?(19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2?(3)-51.45?(14)°]. O-H?O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as ?-? stacking inter-actions [centroid-centroid distance = 3.5764?(12)?Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H?O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | biostudies-literature

Poly[[diaqua-bis-(?2-4,4'-bipyrid-yl)cobalt(II)] dinitrate tetra-hydrate].

Project description:The title compound, {[Co(C10H8N2)2(H2O)2](NO3)2·4H2O} n , (C10H8N2 = 4,4'-bipyridine = 4,4'-bpy) is a layered coordination polymer built up from a cationic square grid extending in (101) enclosing uncoordinating nitrate ions and water mol-ecules. The Co(II) ion has site symmetry 2 and one of the 4,4'-bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66?(5)°]. The other 4,4'-bpy ligand is generated by a crystallographic inversion center. The Co(II) ion exhibits a slightly distorted octa-hedral coordination geometry defined by two O atoms of two coordinating water mol-ecules and four N atoms from four bridging 4,4'-bpy ligands. The structure is consolidated by O-H?O, C-H?O and C-H?N hydrogen bonds.

| S-EPMC3629466 | 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