Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-(4,4'-dimethyl-2,2'-bipyridine-?N,N')(nitrato-?O)(nitrato-?O,O')zinc.

ABSTRACT: In the title compound, [Zn(NO(3))(2)(C(12)H(12)N(2))(H(2)O)], the Zn(II) atom is six-coordinated in a distorted octa-hedral geometry by two N atoms from a chelating 4,4'-dimethyl-2,2'-bipyridine ligand, one water O atom, one O atom from a monodentate nitrate anion and two O atoms from a chelating nitrate anion. In the crystal, there are aromatic ?-? contacts between the pyridine rings [centroid-centroid distances = 3.9577?(13)?Å] and inter-molecular O-H?O and C-H?O hydrogen bonds.

SUBMITTER: Shirvan SA

PROVIDER: S-EPMC3238756 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-(4,4'-dimethyl-2,2'-bipyridine-κN,N')(nitrato-κO)(nitrato-κO,O')zinc.

Shirvan Sadif A SA Haydari Dezfuli Sara S

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, [Zn(NO(3))(2)(C(12)H(12)N(2))(H(2)O)], the Zn(II) atom is six-coordinated in a distorted octa-hedral geometry by two N atoms from a chelating 4,4'-dimethyl-2,2'-bipyridine ligand, one water O atom, one O atom from a monodentate nitrate anion and two O atoms from a chelating nitrate anion. In the crystal, there are aromatic π-π contacts between the pyridine rings [centroid-centroid distances = 3.9577 (13) Å] and inter-molecular O-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 22199633

Similar Datasets

2,2'-Dimethyl-4,4'-bipyridine.

Project description:In the crystal structure of the title compound, C(12)H(12)N(2), the mol-ecule is twisted around the central C-C bond, with a dihedral angle of 8.32?(5)° between the mean planes of the pyridyl rings. The crystal structure is stabilized by arene stacking inter-actions, with a distance of 3.81?(1)?Å between the ring centroids.

| S-EPMC2961716 | biostudies-literature

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(4,4'-dimethyl-2,2'-bipyridine-?N,N')copper(II)].

Project description:The mol-ecule of the title binuclear copper(II) complex, [Cu(2)(C(14)H(8)O(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(2)], is bis-ected by a crystallographic twofold axis. Each Cu(II) atom is coordinated in a distorted octa-hedral geometry by three O atoms from two biphen-yl-2,2'-dicarboxyl-ate anions, one aqua O atom and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand. Intramolecular O-H?O hydrogen bonds between the coordinated water molecules and the carboxylate O atoms are also present.

| S-EPMC2971185 | biostudies-literature

Tetra-aqua-(5,5'-dimethyl-2,2'-bipyridine-?N,N')zinc(II) sulfate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(12)N(2))(H(2)O)(4)]SO(4), consists of a Zn(II) complex cation, a sulfate anion and four mol-ecules of water coordinated to the Zn(II) atom. The Zn(II) complex cation, with approximate twofold symmetry, displays a slightly distorted octa-hedral geometry around the Zn(II) atom, which is coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand and by the O atoms of four water mol-ecules. In the crystal, O-H?O hydrogen bonds help to establish the packing.

| S-EPMC2977444 | biostudies-literature

Di-?(2)-chlorido-bis-[aqua-(2,2'-bipyridine-4,4'-dicarboxylic acid-?N,N')(nitrato-?O)copper(II)].

Project description:In the title compound, [Cu(2)Cl(2)(NO(3))(2)(C(12)H(8)N(2)O(4))(2)(H(2)O)(2)], which consists of a chloride-bridged Cu(II) dimer, the Cu atom is in a distorted octa-hedral environment defined by two N atoms from the 2,2'-bipyridine-4,4'-dicarboxylic acid ligand (H(2)bpdca), two bridging chlorido ligands, and two O atoms from an equatorial water mol-ecule and an axial nitrate anion, respectively. The two halves of the dimeric unit are related by an inversion centre at the midpoint between the two Cu atoms. Both carboxylic acid groups in the H(2)bpdca ligand remain protonated, as confirmed by the two sets of C-O bond lengths. The dinuclear mol-ecules are linked into a three-dimensional network via inter-molecular hydrogen bonds.

| S-EPMC2959964 | biostudies-literature

catena-Poly[[[aqua-(4,4'-dimethyl-2,2'-bipyridine-?(2)N,N')zinc]-?-3-chloro-benzene-1,2-dicaboxylato-?(2)O(2):O(3)] [[(4,4'-dimethyl-2,2'-bipyridine-?(2)N,N')zinc]-?-3-chloro-benzene-1,2-dicaboxylato-?(2)O(2):O(3)]].

Project description:In the title compound, {[Zn(C(8)H(3)ClO(4))(C(12)H(12)N(2))(H(2)O)]·[Zn(C(8)H(3)ClO(4))(C(12)H(12)N(2))]}(n), one Zn(2+) ion is five-coordin-ated by two O atoms from two different 3-chloro-benzene-1,2-dicarboxyl-ate ligands, one O atom from a water mol-ecule and two N atoms from a 4,4'-dimethyl-2,2'-bipyridine ligand, while the second Zn(2+) ion is four-coordinated by two O atoms from two different 3-chloro-benzene-1,2-dicarboxyl-ate ligands, and two N atoms from a 4,4'-bimethyl-2,2'-bipyridine ligand. The crystal structure exhibits a three-dimensional supra-molecular structure composed of alternate Zn(C(8)H(3)O(4)Cl)(C(12)H(12)N(2)) and Zn(C(8)H(3)O(4)Cl)(C(12)H(12)N(2))(H(2)O) chains, which are linked together by face-to-face ?-? inter-actions [shortest centroid-centroid distances of 3.661?(4) and 3.6901?(3)?Å], O-H?O and C-H?O hydrogen bonds.

| S-EPMC3344323 | biostudies-literature

Bis(acetato-?(2)O,O')(4,4'-dimethyl-2,2'-bipyridine-?(2)N,N')-zinc.

Project description:The mol-ecular structure of the title compound, [Zn(CH(3)COO)(2)(C(12)H(12)N(2))], consists of isolated mol-ecules bis-ected by a twofold rotation axis which goes through the Zn(II) cation and halves the organic base through the central C-C bond. The Zn(II) ion is coordinated by two N atoms from one mol-ecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asym-metrically [Zn-O distances of 2.058?(2) and 2.362?(3)?Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079?(2)?Å]. The crystal structure is supported by a number of weak C-H?O inter-actions and C-H?? contacts, with no ?-? inter-actions present, mainly hindered by the substituent methyl groups and the relative mol-ecular orientation. The result is a three-dimensional structure in which each mol-ecule is linked to eight different neighbors.

| S-EPMC3515128 | biostudies-literature

Dibromido(4,4'-dimethyl-2,2'-bipyridine-?N,N')zinc(II).

Project description:The asymmetric unit of the title compound, [ZnBr(2)(C(12)H(12)N(2))], contains two half-mol-ecules; both are completed by crystallographic twofold axes running through the Zn(II) atoms which are coordinated by an N,N'-bidentate 4,4'-dimethyl-2,2'-bipyridine ligand and two Br(-) ions, resulting in distorted ZnN(2)Br(2) tetra-hedral coordination geometries. In the crystal, C-H?Br inter-actions link the mol-ecules.

| S-EPMC3007259 | biostudies-other

(4,4'-Dimethyl-2,2'-bipyridine-?N,N')diiodidomercury(II).

Project description:In the mol-ecule of the title compound, [HgI(2)(C(12)H(12)N(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from the 4,4'-dimethyl-2,2'-bipyridine ligand and by two I atoms. There is a ?-? contact between the pyridine rings [centroid-centroid distance = 3.775?(6)?Å].

| S-EPMC2959485 | biostudies-literature

Bis(?-2,2'-oxydibenzoato-?O,O':O'',O''')bis-[(4,4'-dimethyl-2,2'-bipyridine-?N,N')zinc(II)] dihydrate.

Project description:In the title compound, [Zn(2)(C(14)H(8)O(5))(2)(C(12)H(12)N(2))(2)]·2H(2)O, the Zn(II) atom exhibits a distorted octa-hedral coordination geometry, defined by two N atoms from one 4,4'-dimethyl-2,2'-bipyridine ligand and four O atoms from two bridging 2,2'-oxydibenzoate ligands. The mol-ecule is a centrosymmetric dimer. ?-? Stacking inter-actions are observed between the 4,4'-dimethyl-2,2'-bipyridine ligands, with a centroid-centroid distance of 3.649?(2)?Å.

| S-EPMC2961073 | biostudies-literature

(4,4'-Dimethyl-2,2'-bipyridine-?N,N')(dimethyl sulfoxide-?O)diiodidocadmium(II).

Project description:In the title compound, [CdI(2)(C(12)H(12)N(2))(C(2)H(6)OS)], the Cd(II) cation is coordinated by two N atoms from a dimethyl-bipyridine ligand, one O atom from a dimethyl sulfoxide mol-ecule and two I(-) anions in a distorted trigonal-bipyramidal geometry. Intra-molecular C-H?O hydrogen bonding and inter-molecular ?-? stacking between parallel pyridine rings [centroid-centroid distance = 3.658?(3)?Å] are present in the crystal structure.

| S-EPMC2979279 | 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