Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris(1,10-phenanthroline-κN,N')zinc(II) bis-(4-bromo-benzoate) 6.5-hydrate.

ABSTRACT: In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) mol-ecules in a distorted octa-hedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0.039 and 0.061 Å). The mean inter-planar distances of 3.51 (2) and 3.54 (4) Å between adjacent phen ligands indicate π-π stacking inter-actions, which connect the complex cations into chains along [101]. The 4-bromo-benzoate anions and the uncoordinated water mol-ecules, parts of which are not fully occupied, are linked by O-H⋯O hydrogen bonds. Two carboxyl-ate O atoms and one Br atom in the 4-bromo-benzoate anions are each disordered over two sites with occupancy factors of 0.60 and 0.40.

SUBMITTER: Ye SF

PROVIDER: S-EPMC2983930 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

Project description:In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo-benzoate ligand and one water mol-ecule, completing a distorted ZnN(4)O(2) octa-hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions. The uncoordinated water mol-ecules are partly occupied. One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions link the complex cations, uncoordinated 4-bromo-benzoate anions and water mol-ecules into a three-dimensional supra-molecular network. An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

| S-EPMC3009099 | biostudies-literature

Bis(2-chloro-1,10-phenanthroline-κN,N')(thio-cyanato-κN)zinc (2-chloro-1,10-phenanthroline-κN,N')tris-(thio-cyanato-κN)zincate.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.

| S-EPMC3274921 | biostudies-literature

(Heptanedioato-κO,O')bis-(1,10-phenanthroline-κN,N')zinc(II) hexa-hydrate.

Project description:In the crystal structure of the title compound, [Zn(C(7)H(10)O(4))(C(12)H(8)N(2))(2)]·6H(2)O, the Zn(II) atom is coordinated by two carboxyl-ate O atoms of a mono-bidentate chelating pimelate anion (pimelic acid is hepta-nedioic acid) and four N atoms of two phenanthroline ligands, forming a considerably distorted octa-hedral ZnN(4)O(2) coordination geometry. The complexes are assembled into a three-dimensional network via C-H⋯O, C-H⋯π and π-π inter-actions. The mean inter-planar distance between adjacent phenanthroline ligands is 3.399 (2) Å.

| S-EPMC2961045 | 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

Aqua-(3-hydroxy-benzoato-κO)bis-(1,10-phenanthroline-κN,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. π-π 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(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')holmium(III).

Project description:In the title compound, [Ho(NO(3))(3)(C(12)H(8)N(2))(2)], the ten-coordinate Ho(III) ion is chelated by four N atoms from two phenanthroline (phen) ligands and six O atoms from three bidentate nitrate groups. The environment around the Ho atom can be described as a distorted bicapped square anti-prism. Two phenanthroline ligands form a dihedral angle of 43.72 (13)°. Short inter-molecular distances between the centroids of the six-membered rings [3.6887 (14)-3.8374 (16) Å] indicate the existence of π-π inter-actions, which link the mol-ecules into stacks extended in the [10] direction. The crystal packing is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2961938 | biostudies-literature

(Croconato-κO,O')bis-(1,10-phenanthroline-κN,N')zinc(II).

Project description:In the title compound, [Zn(C(5)O(5))(C(12)H(8)N(2))(2)], the Zn atom is in a slightly distorted octa-hedral environment. The mol-ecule lies across a twofold rotation axis, around which two 1,10-phenanthroline ligands are arranged. There are short contacts between the 1,10-phenanthroline groups and the O atoms of the croconate ligand, which probably stabilize the crystal structure via weak C-H⋯O interactions.

| S-EPMC2960028 | biostudies-literature

(Formato-κO)bis-(1,10-phenanthroline-κN,N')copper(II) formate hexa-hydrate.

Project description:In the title compound, [Cu(CHO(2))(C(12)H(8)N(2))(2)]CHO(2)·6H(2)O, the Cu atom is coordinated in a distorted trigonal-bipyramidal fashion by an O atom of the formate ligand and four N atoms of two phenanthroline ligands with Cu-O and Cu-N distances of 2.020 (3) and 1.978 (3)-2.177 (3) Å, respectively. Hydrogen bonding O-H⋯O between water molecules and between water anions as well as π-π inter-actions [centroid-centroid distances between phen rings = 3.38 (7) and 3.40 (5) Å] are responsible for the supra-molecular assembly.

| S-EPMC2960151 | biostudies-literature

Bis(2-bromo-acetato-κO,O')(1,10-phenanthroline-κN,N')copper(II).

Project description:The two halves of the title compound, [Cu(C(2)H(2)BrO(2))(2)(C(12)H(8)N(2))], are related by twofold symmetry along the b axis through the central Cu(II) ion. The Cu(II) ion is coordinated by two symmetry-related N atoms from the 1,10-phenanthroline ligand and four O atoms from two 2-bromo-acetate ligands, showing a distorted octahedral geometry. Weak inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules.

| S-EPMC2968837 | biostudies-literature

Di-μ-chlorido-bis-[chlorido(1,10-phenanthroline-κN,N')zinc(II)].

Project description:In the crystal structure of the title complex, [Zn(2)Cl(4)(C(12)H(8)N(2))(2)], each of the two five-coordinated Zn(II) atoms displays a strongly distorted trigonal-bipyramidal geometry defined by two N atoms from the chelate ligand and by one terminal and two bridging chloride anions. The crystal structure is stabilized by C-H⋯Cl inter-actions. There is inter-molecular π-π stacking between adjacent phenanthroline ligands, with a centroid-centroid distance of 3.151 (3) Å.

| S-EPMC2977612 | 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