Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(?(2)-2,2-dimethyl-propanoato-?O,O')bis-[(pyridine-?N)copper(II)]: a monoclinic polymorph.

ABSTRACT: The structure of the dinuclear title complex, [Cu(2)(C(5)H(9)O(2))(4)(C(5)H(5)N)(2)], represents a monoclinic polymorph of the previously reported triclinic form [Blewett et al. (2006 ?). Acta Cryst. E62, m420-m422]. Each carboxyl-ate group is bidentate bridging and the distorted octa-hedral geometry about each Cu(II) atom is completed by a pyridine N atom and the other Cu atom [Cu?Cu = 2.6139?(7)?Å]. In the crystal, mol-ecules are connected into supra-molecular chains via ?-? inter-actions formed by the pyridine rings [centroid-centroid distance = 3.552?(3)?Å] and these are connected into a two-dimensional array in the ac plane by C-H?? contacts. One of the tert-butyl groups is disordered over two orientations in a 0.734?(6):0.266?(6) ratio.

SUBMITTER: Ozair LN

PROVIDER: S-EPMC2979036 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(μ(2)-2,2-dimethyl-propanoato-κO,O')bis-[(pyridine-κN)copper(II)]: a monoclinic polymorph.

Ozair Lailatun Nazirah LN Abdullah Norbani N Khaledi Hamid H Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

The structure of the dinuclear title complex, [Cu(2)(C(5)H(9)O(2))(4)(C(5)H(5)N)(2)], represents a monoclinic polymorph of the previously reported triclinic form [Blewett et al. (2006 ▶). Acta Cryst. E62, m420-m422]. Each carboxyl-ate group is bidentate bridging and the distorted octa-hedral geometry about each Cu(II) atom is completed by a pyridine N atom and the other Cu atom [Cu⋯Cu = 2.6139 (7) Å]. In the crystal, mol-ecules are connected into supra-molecular chains via π-π inter-actions form ...[more]

PMID: 21579064

Similar Datasets

(2,2'-Bi-pyridine-?(2) N,N')tetra-kis-(dimethyl sulfoxide-?O)copper(II) bis-(perchlorate).

Project description:The title compound, [Cu(C2H6OS)4(C10H8N2)](ClO4)2, contains a Cu(II) ion with a distorted octa-hedral coordination environment, bonded by four O atoms of the monodentate dimethyl sulfoxide ligands and two N atoms of the bidentate chelating 2,2'-bi-pyridine ligand. The equatorial Cu-N and Cu-O bond lengths are in the range 1.979?(2)-1.998?(3)?Å. The axial Cu-O bond distances are 2.365?(2) and 2.394?(2)?Å. In the crystal, the complex cations and perchlorate anions are connected by numerous C-H?O hydrogen bonds, which leads to additional stabilization of the structure. The perchlorate anion is disordered over two sets of sites with a 0.716?(3):0.284?(3) occupancy ratio.

| S-EPMC3793687 | biostudies-literature

A new monoclinic polymorph of dichlorido-tetra-kis(dimethyl sulfoxide)-ruthenium(II).

Project description:The title compound, cis,fac-dichloridotetra-kis(dimethyl sulfoxide)-κ(3)S,κO-ruthenium(II), [RuCl(2)(C(2)H(6)OS)(4)], was obtained from newly synthesized ruthenium complexes of 3-amino-2-chloro-pyridine. The Ru atom has a distorted octa-hedral coordination with two cis-oriented chloride ligands and four dimethyl sulfoxide ligands. Three of the sulfoxide ligands are S-bonded in a fac configuration, while the fourth is O-bonded. The title compound represents a new, and fourth, polymorph of the complex. Two other monoclinic forms and an ortho-rhom-bic modification have been reported previously.

| S-EPMC2961945 | biostudies-literature

Tetra-kis(pyridine-?N)bis-(tetrafluorido-borato-?F)copper(II).

Project description:In the title complex, [Cu(BF4)2(C5H5N)2], the Cu(II) ion is in an octa-hedral coordination environment and is surrounded by four pyridine and two tetra-fluoridoborate mol-ecules. The four pyridine mol-ecules are coordinated to the copper ion through their N atoms in the equatorial plane and display a right-handed screw arrangement around the Cu(II) ion. The remaining two trans positions in the octa-hedron are occupied by the BF4 (-) anions, each coordinating weakly through an F atom. The crystal packing shows a two-dimensional sheet structure parallel to the ab plane that is formed by C-H?F hydrogen-bonding inter-actions.

| S-EPMC3793688 | biostudies-literature

Tetra-kis(μ-propanoato-κO:O')bis-[(1,10-phenanthroline-κN,N')(propanoato-κO,O')samarium(III)].

Project description:The title complex, [Sm(2)(C(3)H(5)O(2))(6)(C(12)H(8)N(2))(2)], is a dinuclear centrosymmetric mol-ecule, in which two crystallographically equivalent Sm atoms, separated by 3.9502 (2) Å, are bridged by four propanoate anions. Each Sm atom is coordinated by two N atoms from one chelating phenanthroline ligand and seven carboxylate O atoms from five propanoate anions, to form a distorted tricapped trigonal prism.

| S-EPMC2915056 | biostudies-literature

Bis[4-(dimethyl-amino)-pyridinium] bis-[4-(dimethyl-amino)-pyridine-?N (1)]tetra-kis-(thio-cyanato-?N)manganate(II).

Project description:In the crystal structure of the title compound, (C7H11N2)2[Mn(NCS)4(C7H10N2)2], the manganese(II) cations are coordinated by four N-bonded thio-cyanate anions and two N-bonded 4-(dimethyl-amino)-pyridine ligands into discrete complex dianions. For charge balance, two 4-(dimethylamino)pyridine counter cations are present, which do not coordinate to the metal cation. The asymmetric unit consists of one manganese(II) cation, four thio-cyanate anions and two 4-(dimethyl-amino)-pyridine ligands, as well as two protonated 4-(dimethyl-amino)-pyridinium cations. The discrete complex anions are connected to the non-coordinating pyridinium cations by weak N-H?S hydrogen-bonding inter-actions.

| S-EPMC3588772 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-κN,N)bis-(dimethyl sulfoxide-κO)copper(II) bis-(tetra-fluoridoborate).

Project description:In the title copper(II) salt, [Cu(C(6)H(6)N(4))(2)(C(2)H(6)OS)(2)](BF(4))(2), the Jahn-Teller distorted octa-hedral coordination sphere of copper is formed from four 2,2'-bi-1H-imidazole N atoms and two dimethyl sulfoxide O atoms. The Cu atom lies on a center of inversion. N-H⋯O and N-H⋯F hydrogen bonds give rise to a one-dimensional structure. The BF(4) (-) anion is disordered over two sites in a 0.671 (10):0.329 (10) ratio.

| S-EPMC3008059 | biostudies-literature

Tetra-?-benzoato-bis-[(3,5-dimethyl-pyridine)-copper(II)].

Project description:In the centrosymmetric binuclear title compound, [Cu(2)(C(7)H(5)O(2))(4)(C(7)H(9)N)(2)], the Cu(II) atom is coordinated by four O atoms from benzoate anions and one N atom from a dimethyl-pyridine ligand. A paddle-wheel-like dimer is formed by two Cu(II) ions and four benzoate anions with two 3,5-dimethyl-pyridine ligands at the axial position of the Cu(II) ions. The dihedral angle between the two unique benzene rings is 84.26?(16)°. The dihedral angles between the pyridine ring and the benzene rings are 61.67?(15) and 34.27?(14)°. There is ?-? stacking of inversion-related pyridine rings, with a centroid-centroid distance of 3.833?(2)?Å.

| S-EPMC3343836 | biostudies-other

Tetra-kis(?-4-methyl-benzoato-?O:O')bis-{[4-(dimethyl-amino)pyridine-?N]zinc(II)}.

Project description:In the centrosymmetric title binuclear complex, [Zn(2)(C(8)H(7)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn?Zn = 3.0287?(6)?Å] are bridged by four 4-methyl-benzoate ligands. The four nearest O atoms around each Zn(II) atom form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the 4-(dimethyl-amino)pyridine ligand. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into infinite chains. The chains are further linked by weak C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC2977470 | biostudies-literature

A monoclinic polymorph of 4,4'-dichloro-2,2'-(piperazine-1,4-diyl-dimethyl-ene)diphenol.

Project description:The titile compound, C(18)H(20)Cl(2)N(2)O(2), crystallizes as a monoclinic form in the space group P2(1)/n, with Z' = 1/2. It is polymorphic with the previously reported orthorhombic form [Kubono, Tsuno, Tani & Yokoi (2008). Acta Cryst. E64, o2309]. In the present polymorph, the mol-ecule lies on a crystallographic inversion centre at the piperazine ring centroid. An intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. Inter-molecular C-H⋯O hydrogen bonding generates a C(5) chain motif propagating along the b axis, forming sheets parallel to (02) with a first-level graph set S(6)C(5)R(6) (6)(34).

| S-EPMC2959908 | biostudies-literature

Bis(1,3-dimethyl-1H-imidazolium) hexa-fluoro-silicate: the second monoclinic polymorph.

Project description:The title compound, 2C5H9N2 (+)·SiF6 (2-), (I), crystallized as a new polymorph, different from the previously reported one (Ia) [Light et al. (2007 ?) private communication (refcode: NIQFAV). CCDC, Cambridge, England]. The symmetry [space groups P21/n for (I) and C2/c for(Ia)] and crystal packing patterns are markedly different for this pair of polymorphs. In (I), all imidazolium cations in the lattice are nearly parallel to each other, whereas a herringbone arrangement can be found in (Ia). In (I), each SiF6 (2-) dianion forms four short C-H?F contacts with adjacent C5H9N2 (+) cations, resulting in the formation of layers parallel to the ac plane. In (Ia), the C-H?F contacts are generally longer and result in the formation of layers along the bc plane.

| S-EPMC3793725 | 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