Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-Tetra-aqua-bis-(isonicotinamide-κN)nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

ABSTRACT: The asymmetric unit of the title compound, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Ni(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Ni(II) ion [Ni-O = 2.052 (2) and 2.079 (2) Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octa-hedron by the two N atoms [Ni-N = 2.075 (3) Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring by 8.8 (3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H⋯O and N-H⋯O hydrogen bonds, consolidates the crystal packing, which also exhibits π-π inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.455 (2) and 3.621 (2) Å, respectively.

SUBMITTER: Zaman IG

PROVIDER: S-EPMC3274920 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

trans-Tetra-aqua-bis-(isonicotinamide-κN (1))zinc bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinating water mol-ecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn-O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octa-hedral geometry is completed by the two N atoms [Zn-N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H⋯O and N-H⋯O and weak C-H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π-π stacking between the benzene and pyridine rings, with centroid-centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water mol-ecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.

| S-EPMC3629480 | biostudies-literature

trans-Tetra-aqua-bis-(isonicotinamide-?N)cobalt(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Co(II) ion [Co-O = 2.0593?(16) and 2.1118?(16)?Å] form a slightly distorted square-planar arrangement, and the distorted octahedral geometry is completed by the two N atoms [Co-N = 2.1306?(18)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring at 8.84?(17)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H?O and N-H?O hydrogen bonds, consolidates the crystal packing, which exhibits ?-? inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.458?(1) and 3.606?(1)?Å, respectively.

| S-EPMC3297218 | biostudies-literature

Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.

| S-EPMC2970033 | biostudies-literature

Tetra-aqua-bis(isonicotinamide-κN)cobalt(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the crystal structure of the title complex, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement with an average Co-O bond length of 2.086 Å; the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) Å] in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 5.93 (13)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.758 (1) Å] may further stabilize the crystal structure.

| S-EPMC2969956 | biostudies-literature

Tetra-aqua-bis(nicotinamide-κN)nickel(II) bis-(2-fluoro-benzoate).

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro-benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni-O bond length of 2.079 Å, and the slightly distorted octa-hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O-H⋯O, N-H⋯O, C-H⋯O, and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro-benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.

| S-EPMC2970982 | biostudies-literature

Tetra-aqua-bis-(pyridine-κN)nickel(II) dinitrate.

Project description:In the title compound, [Ni(C(5)H(5)N)(2)(H(2)O)(4)](NO(3))(2), the Ni(II) ion is coordinated by two N-bonded pyridine ligands and four water mol-ecules in an octa-hedral coordination mode. The asymmetric unit consists of one Ni(II) ion located on an inversion center, as well as one pyridine ligand, one nitrate anion and two water mol-ecules in general positions. In the crystal structure, the discrete complex cations and nitrate anions are connected by O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3006910 | biostudies-literature

Tetra-aqua-bis(pyridine-3-sulfonato-κN)nickel(II).

Project description:In the mol-ecule of the title compound, [Ni(C(5)H(4)NO(3)S)(2)(H(2)O)(4)], the Ni(II) cation is located on an inversion center and is coordinated by four water mol-ecules and two pyridine-3-sulfonate anions with an NiN(2)O(4) distorted octa-hedral geometry. The face-to-face separation of 3.561 (5) Å between parallel pyridine rings indicates the existence of weak π-π stacking between the pyridine rings. The structure also contains inter-molecular O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding.

| S-EPMC2961246 | biostudies-literature

Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

Project description:In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

| S-EPMC3274919 | biostudies-literature

Bis(5-hy-droxy-isophthalato-κO (1))bis-[4-(pyridine-3-carboxamido-κN (3))pyridinium]copper(II) tetra-hydrate.

Project description:In the title compound, [Cu(C11H10N3O)2(C8H4O5)2]·4H2O, the Cu(II) ion, located on a crystallographic inversion center, is coordinated in a square-planar environment by two trans-O atoms belonging to two monodentate 5-hy-droxy-isophthalate (hip) dianions and two trans nicotinamide pyridyl N-donor atoms from monodentate protonated pendant N-(pyridin-4-yl)nicotinamide (4-pnaH) ligands. The protonated 4-pyridyl-amine groups engage in N-H(+)⋯O(-) hydrogen-bond donation to unligated hip O atoms to construct supra-molecular chain motifs parallel to [100]. Water mol-ecules of crystallization, situated between the chains, engage in O-H⋯O hydrogen bonding to form supra-molecular layers and the overall three-dimensional network structure.

| S-EPMC3884997 | biostudies-literature

Crystal structure of bis-(tri-ethano-lamine-?(3) N,O,O')nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The reaction of 3-hy-droxy-benzoic (m-hy-droxy-benzoic) acid (MHBA), tri-ethano-lamine (TEA) and Ni(NO3)2 in aqueous solution led to formation of the hydrated title salt, [Ni(C6H15NO3)2](C7H5O3)·4H2O. In the complex cation, the Ni(2+) ion is located on an inversion centre. Two symmetry-related TEA ligands occupy all coordination sites in an N,O,O'-tridentate coordination, leading to a slightly distorted NiN2O4 octa-hedron. Two ethanol groups of each TEA ligand form two five-membered chelate rings around Ni(2+), while the third ethanol group does not coordinate to the metal atom. Two MHBA(-) anions in the benzoate form are situated in the outer coordination sphere for charge compensation. An intricate network of hydrogen bonds between the free and coordinating hy-droxy groups of the TEA ligands, the O atoms of the MHBA(-) anions and the water mol-ecules leads to the formation of a two-dimensional structure extending parallel to (010).

| S-EPMC4908535 | biostudies-other

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