Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-aqua-bis-(pyridine-3-carbo-nitrile-?N ¹)nickel(II) benzene-1,4-di-carboxyl-ate tetra-hydrate.

ABSTRACT: A nickel(II) terephthalate complex, viz. [Ni(C₆H₄N₂)₂(H₂O)₄](O₂CC₆H₄CO₂)·4H₂O, has been synthesized and studied by single-crystal X-ray diffraction. It crystallizes in the triclinic space group P . The crystal structure shows an approximately octa-hedral coordination environment of the complex with the [Ni(H₂O)₄(3-NCpy)₂]²⁺ (3-NCpy is pyridine-3-carbo-nitrile) cation associated with four free water mol-ecules and hydrogen bonded to a terephthalate dianion [graph set R ² ₂(8)]. The supra-molecular structure of the compound is stabilized by a three-dimensional array of O-H?O and O-H?N hydrogen bonds, along with ?-? stacked pyridine-3-carbo-nitrile rings and C-H?O inter-actions.

SUBMITTER: Gogoi M

PROVIDER: S-EPMC7784045 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-aqua-bis-(pyridine-3-carbo-nitrile-κN 1)nickel(II) benzene-1,4-di-carboxyl-ate tetra-hydrate.

Gogoi Monsumi M Das Birinchi Kumar BK

Acta crystallographica. Section E, Crystallographic communications 20210101 Pt 1

A nickel(II) terephthalate complex, viz. [Ni(C6H4N2)2(H2O)4](O2CC6H4CO2)·4H2O, has been synthesized and studied by single-crystal X-ray diffraction. It crystallizes in the triclinic space group P . The crystal structure shows an approximately octa-hedral coordination environment of the complex with the [Ni(H2O)4(3-NCpy)2]2+</ ...[more]

PMID: 33520275

Similar Datasets

Hexa-kis-(propyl-ammonium) benzene-1,2,4,5-tetra-carboxyl-ate 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate tetra-hydrate.

Project description:The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4-)·C(10)H(4)O(8) (2-)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl-ammonium cations, two water mol-ecules, half a 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate dianion (H(2)btc(2-)) and half a benzene-1,2,4,5-tetra-carboxyl-ate tetra-anion (btc(4-)), the latter two anions being located about centres of inversion. One of the water mol-ecules is disordered over two positions in a 0.55 (2):0.45 (2) ratio. The combination of mol-ecular ions and water mol-ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N-H⋯O inter-actions between the ammonium cations and the anions, as well as four unique O-H⋯O inter-actions between the water mol-ecules and the anions.

| S-EPMC3435833 | biostudies-literature

Bis(piperazinediium) benzene-1,2,4,5-tetra-carboxyl-ate hexa-hydrate.

Project description:The title compound, 2C(4)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·6H(2)O or (pipzH(2))(2)(btc)·6H(2)O, was formed from the reaction between benzene-1,2,4,5-tetra-carboxylic acid (btcH(4)) as a proton donor and piperazine (pipz) as a proton acceptor. A variety of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions, are present in the crystal structure. Two water O atoms are each disordered over two positions; for both the site occupany factors are ca 0.66 and 0.34.

| S-EPMC2960987 | biostudies-literature

catena-Poly[[[tetra-aqua-zinc(II)]-?-4,4'-bipyridine-?N:N'] benzene-1,4-di-carboxyl-ate].

Project description:In the title compound, {[Zn(C(10)H(8)N(2))(H(2)O)(4)](C(8)H(4)O(4))}(n), the Zn(II) atoms, lying on a twofold rotation axis, are bridged by 4,4'-bipyridine ligands, resulting in a linear chain along the b axis. In the chain, the Zn(II) atom adopts a slightly distorted octa-hedral coordination geometry involving four water mol-ecules at the equatorial positions. The noncoordinated benzene-1,4-dicarboxyl-ate anion, which is also located on a twofold rotation axis, bridges adjacent chains through O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2969229 | biostudies-literature

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

Poly[?-aqua-aqua-(?-benzene-1,2,4,5-tetra-carboxyl-ato)gadolinate(III)potassium(I)].

Project description:In the title compound, [KGd(C(10)H(2)O(8))(H(2)O)(2)](n), the Gd(3+) ion is nine-coordinated by eight O atoms from five individual benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligands and one water mol-ecule, and the K(+) ion is eight-coordinated by six O atoms from five individual btec ligands and two water mol-ecules. In the crystal, the btec half-mol-ecules are completed by crystallographic inversion symmetry. GdO(9) and KO(8) polyhedra are connected, forming layers in the ab plane, which are further inter-connected by ?(8)- or ?(12)-bridging btec ligands, forming a three-dimensional structure.

| S-EPMC3120476 | biostudies-literature

Bis(propane-1,2-diammonium) benzene-1,2,4,5-tetra-carboxyl-ate dihydrate.

Project description:In the crystal of the title hydrated molecular salt, 2C(3)H(12)N(2) (2+)·C(10)H(2)O(8) (4-)·2H(2)O, the packing is stabilized by extensive N-H⋯O and O-H⋯O hydrogen-bonding inter-actions involving all three species, forming a supra-molecular three-dimensional structure. The tetraanion is generated by inversion.

| S-EPMC3011682 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-5-carboxybenzene-1,2,4-tri-carboxyl-ato)tricadmium] tetra-hydrate].

Project description:There are three independent Cd(II) ions in the title complex, {[Cd(3)(C(10)H(3)O(8))(2)(H(2)O)(4)]·4H(2)O}(n), one of which is coordinated by four O atoms from three 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by two water mol-ecules in a distorted octa-hedral geometry. The second Cd(II) ion is coordinated by five O atoms from four 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by one water mol-ecule also in a distorted octa-hedral geometry while the third Cd(II) ion is coordinated by five O atoms from three 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by one water mol-ecule in a highly distorted octa-hedral geometry. The 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands bridge the Cd(II) ions, resulting in the formation of a three-dimensional structure. Intra- and inter-molecular O-H?O hydrogen bonds are present throughout the three-dimensional structure.

| S-EPMC3379128 | biostudies-literature

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-κO)nickel(II) tetra-hydrate.

Project description:In the title compound, [Ni(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Ni(II) ion is located on an inversion centre and is octa-hedrally coordinated by four O atoms from four water mol-ecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxyl-ate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the Ni(II) ion in a monodentate manner through a carboxyl-ate O atom. There is one strong intra-molecular O-H⋯O hydrogen bond and six inter-molecular O-H⋯O and O-H⋯N hydrogen-bonding inter-actions in the packing, resulting in a complex three-dimensional network structure.

| S-EPMC3515138 | biostudies-literature

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-κO)cobalt(II) tetra-hydrate.

Project description:In the title compound, [Co(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Co(II) cation is located on an inversion center and is coordinated by four water mol-ecules and two 6-chloro-pyridine-3-carboxyl-ate anions in a slightly distorted octa-hedral geometry. In the crystal, complex mol-ecules and lattice water mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds into a three-dimensional network.

| S-EPMC3515139 | biostudies-literature

catena-Poly[[[?-aqua-penta-aqua-dizinc(II)]-?(4)-benzene-1,2,4,5-tetra-carboxyl-ato] dihydrate].

Project description:The asymmetric unit of the title compound, {[Zn(2)(C(10)H(2)O(8))(H(2)O)(6)]·2H(2)O}(n), contains two distinct Zn atoms joined by a bridging water molecule and two bridging carboxyl-ate groups belonging to distinct halves of benzene-1,2,4,5-tetra-carboxyl-ate (tbec) tetra-anionic ligands, both lying on crystallographic inversion centres. The structure of this new isopolymorphic one-dimensional coordination polymer features asymmetric bimetallic octa-hedral knots. O-H?O hydrogen bonds between water molecules and carboxylate O atoms help to consolidate the crystal packing.

| S-EPMC2977204 | biostudies-literature