Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of aqua[N-(2-oxidobenzyl-?O)-l-leucinato-?(2) N,O](1,10-phenanthroline-?(2) N,N')-nickel(II) penta-hydrate.

ABSTRACT: In the title compound, [Ni(C13H17NO3)(C12H8N2)(H2O)]·5H2O, the Ni(II) atom is in a distorted octa-hedral coordination environment provided by the two N atoms of one bidentate phenanthroline ligand and two O atoms and one N atom from a tridentate 2-[(2-hy-droxy-benz-yl)amino]-4-methyl-penta-noic acid (HAMA) ligand and one water mol-ecule. The complex was prepared by the reaction of nickel(II) nitrate with HAMA in the presence of 1,10-phenanthroline in a 1:1:1 ratio. In the crystal, the complex mol-ecules and solvate water mol-ecules are associated via O-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Faizi MS

PROVIDER: S-EPMC4384555 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of aqua[N-(2-oxidobenzyl-κO)-l-leucinato-κ(2) N,O](1,10-phenanthroline-κ(2) N,N')-nickel(II) penta-hydrate.

Faizi Md Serajul Haque MS Sharkina Natalia O NO

Acta crystallographica. Section E, Crystallographic communications 20150121 Pt 2

In the title compound, [Ni(C13H17NO3)(C12H8N2)(H2O)]·5H2O, the Ni(II) atom is in a distorted octa-hedral coordination environment provided by the two N atoms of one bidentate phenanthroline ligand and two O atoms and one N atom from a tridentate 2-[(2-hy-droxy-benz-yl)amino]-4-methyl-penta-noic acid (HAMA) ligand and one water mol-ecule. The complex was prepared by the reaction of nickel(II) nitrate with HAMA in the presence of 1,10-phenanthroline in a 1:1:1 ratio. In the crystal, the complex mo ...[more]

PMID: 25878817

Similar Datasets

Tris(1,10-phenanthroline)nickel(II) dichromate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(12)H(8)N(2))(3)][Cr(2)O(7)]·4H(2)O, contains one cation, one anion and four water mol-ecules, three of which are disordered over two sites with equal occupancies. In the cation, the metal centre is coordinated by six N atoms from three 1,10-phenanthroline ligands in a distorted octa-hedral geometry. The [Cr(2)O(7)](2-) anion exhibits a staggered conformation. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds and ?-? inter-actions, evidenced by short distances of 3.531?(5)?Å between the centroids of aromatic rings.

| S-EPMC2979795 | biostudies-literature

Aqua-(3-hydroxy-benzoato-?O)bis-(1,10-phenanthroline-?N,N')cobalt(II) 3-hydroxy-benzoate penta-hydrate.

Project description:The crystal structure of the title compound, [Co(C(7)H(5)O(3))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(3))·5H(2)O, consists of Co(II) complex cations, uncoordinated hydroxy-benzoate anions and uncoord-inated water mol-ecules. The Co(II) ion is coordinated by two phenanthroline ligands, a water mol-ecule and a 3-hydroxy-benzoate anion, and displays a distorted octa-hedral geometry. ?-? stacking is observed between parallel phenanthroline ligands, the face-to-face separations being 3.454?(19) and 3.435?(7)?Å. An extensive hydrogen-bonding network helps to stabilize the crystal structure. The hydroxybenzoate ligand is disordered over two positions, with site occupancy factors 0.6 and 0.4. One solvent water molecule is also disordered over two positions, with site occupancy factors 0.6 and 0.4.

| S-EPMC2960224 | biostudies-literature

Tris(1,10-phenanthroline-?N,N')nickel(II) dinitrate tetra-hydrate.

Project description:In the title complex, [Ni(C(12)H(8)N(2))(3)](NO(3))(2)·4H(2)O, the Ni(II) ion is octa-hedrally coordinated by three bidentate 1,10-phenanthroline ligands, each forming a five-membered chelate ring. In the crystal, O-H?O and C-H?O hydrogen bonds are present between the complex cations, nitrate anions and water mol-ecules. O-H?O hydrogen bonds between the uncoord-inated water mol-ecules lead to the formation of a four-membered ring water cluster, with a planar configuration. There were an additional five grossly disordered water mol-ecules in the asymmetric unit, which were removed by the subroutine SQUEEZE; these were were excluded in the calculation of the molecular weight, etc. ?-? stacking inter-actions between the aromatic rings are also observed [centroid-centroid distances = 3.697?(2), 3.728?(2) and 3.761?(2)?Å].

| S-EPMC3238704 | biostudies-literature

Aqua-dinitrato(quioxalino[2,3-f][1,10]phenanthroline)nickel(II) monohydrate.

Project description:In the crystal of the title compound, [Ni(NO(3))(2)(C(18)H(10)N(4))(H(2)O)]·H(2)O, the Ni(II) ion is coordinated in a distorted octahedral geometry by two N atoms of the 1,10-phenanthroline moiety of the ligand, three O atoms from two nitrate anions and an O atom from one water mol-ecule. O-H?O hydrogen bonds between the coordinated and the solvent water molecules and between these water molecules and the nitrate O atoms help to establish the crystal packing.

| S-EPMC2969060 | biostudies-literature

[N-(3-Meth-oxy-2-oxidobenzyl-idene-?O)leucinato-?N,O](1,10-phenanthroline-?N,N')copper(II) monohydrate.

Project description:The asymmetric unit of the title complex, [Cu(C(14)H(17)NO(4))(C(12)H(8)N(2))]·H(2)O, contains two independent Cu(II) complex mol-ecules and two uncoordinated water mol-ecules. In each complex mol-ecule, the Cu atom is O,N,O'-chelated by the tridentate Schiff base ligand and N,N'-chelated by the 1,10-phenanthroline ligand in a distorted square-pyramidal geometry. The Cu-N bond distances in the apical directions are 2.298?(4) and 2.268?(4)?Å. In the crystal, inter-molecular O-H?O and C-H?O hydrogen bonds together with C-H?? inter-actions result in a three-dimensional supra-molecular structure.

| S-EPMC3011713 | biostudies-literature

cis-Aqua-chloridobis(1,10-phenanthroline-?N,N')cobalt(II) chloride 2.5-hydrate.

Project description:In the title complex, [CoCl(C(12)H(8)N(2))(2)(H(2)O)]Cl·2.5H(2)O, the Co(II) ion is coordinated by four N atoms of two bis-chelating 1,10-phenanthroline (phen) ligands, one water mol-ecule and a chloride ligand in a distorted octa-hedral environment. The dihedral angle between the two phen ligands is 84.21?(3)°. In the crystal structure, complex mol-ecules and chloride ions are linked into centrosymmetric four-component clusters by inter-molecular O-H?Cl hydrogen bonds. Of the 2.5 solvent water mol-ecules in the asymmetric unit, two were refined as disordered over two sites with fixed occupancies of ratios 0.50:0.50 and 0.60:0.40, while another was refined with half occupancy.

| S-EPMC2971197 | biostudies-literature

[Malonato(2-)-?O,O']bis-(1,10-phenanthroline-?N,N')zinc(II) penta-hydrate.

Project description:In the title complex, [Zn(C(3)H(2)O(4))(C(12)H(8)N(2))(2)]·5H(2)O, the Zn(II) cation displays a distorted octa-hedral geometry, being coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from different carboxyl-ate groups of the chelating malonate dianion. In the crystal, the complexes are linked into a three-dimensional supra-molecular network by both O-H?O hydrogen-bonding inter-actions between water mol-ecules and the uncoordinated carboxyl-ate O atoms of neighboring mol-ecules, and aromatic ?-? stacking inter-actions between neighboring phenanthroline rings with centroid-centroid distances of 3.4654?(17) and 3.697?(2)?Å.

| S-EPMC3050196 | biostudies-literature

Bis[tris-(1,10-phenanthroline)nickel(II)] tris-[dicyanidoargentate(I)] nitrate 4.2-hydrate.

Project description:The title compound, [Ni(C(12)H(8)N(2))(3)](2)[Ag(CN)(2)](3)(NO(3))·4.2H(2)O, crystallizes with two independent [Ni(phen)(3)](2+) cations (phen is 1,10-phenanthroline; both Ni atoms have threefold symmetry and N(6) donor sets), three near-linear [Ag(CN)(2)](-) anions, one nitrate anion (N site symmetry 3) and 4.2 water mol-ecules of crystallization, some of which are disordered. The [Ag(CN)(2)](-) anions are situated within cavities created by the phenanthroline ligands of adjacent [Ni(phen)(3)](2+) cations. Some short C-H?O and C-H?N inter-actions may help to establish the packing.

| S-EPMC2959559 | biostudies-literature

Bis[1-hydroxy-ethyl-idenediphosphon-ato(1-)](1,10-phenanthroline)nickel(II) mono-hydrate.

Project description:In the mononuclear title compound, [Ni(C(2)H(6)O(7)P(2))(2)(C(12)H(8)N(2))]·H(2)O, the Ni(II) atom (site symmetry 2) is bonded to two phosphate-based O,O'-bidentate chelate ligands and one N,N'-bidentate 1,10-phenanthroline ligand, resulting in a slightly distorted cis-NiN(2)O(4) octa-hedral geometry. In the crystal structure, pairs of complexes are linked by double hydrogen bonds, forming a one-dimensional chain-like structure. Aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.768?(2)?Å] and further hydrogen bonds generate a two-dimensional structure. The water O atom also lies on a crystallographic twofold axis.

| S-EPMC2960185 | biostudies-literature

(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

| S-EPMC3011463 | 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