Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[?(3)-N,N'-bis-(3-pyridylmeth-yl)-thio-urea-?N:N':S]iodidocopper(I)].

ABSTRACT: In the title coordination polymer, [CuI(C(13)H(14)N(4)S)](n), the Cu(I) atom is coordinated by two N atoms from two N,N'-bis-(3-pyridylmeth-yl)thio-urea ligands, as well as by the S atom of a third ligand and an I atom to confer a distorted tetra-hedral coordination at the metal centre. The coordination bonds give rise to a layer structure parallel to (010).

SUBMITTER: Zhang SS

PROVIDER: S-EPMC2959578 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[μ(3)-N,N'-bis-(3-pyridylmeth-yl)-thio-urea-κN:N':S]iodidocopper(I)].

Zhang Shi-Shen SS

Acta crystallographica. Section E, Structure reports online 20081015 Pt 11

In the title coordination polymer, [CuI(C(13)H(14)N(4)S)](n), the Cu(I) atom is coordinated by two N atoms from two N,N'-bis-(3-pyridylmeth-yl)thio-urea ligands, as well as by the S atom of a third ligand and an I atom to confer a distorted tetra-hedral coordination at the metal centre. The coordination bonds give rise to a layer structure parallel to (010). ...[more]

PMID: 21580846

Similar Datasets

N-(Biphenyl-4-ylcarbon-yl)-N'-(2-pyridylmeth-yl)thio-urea.

Project description:In the title compound, C(20)H(17)N(3)OS, the dihedral angle between the benzene rings of the biphenyl fragment is 36.84?(9)°. The trans-cis geometry of the thio-urea unit is stabilized by intra-molecular N-H?O and N-H?N hydrogen bonds between the H atom of the cis thio-amide and the carbonyl O and pyridine N atoms, respectively. In the crystal structure, inter-molecular N-H?S hydrogen bonds form centrosymmetric dimers extending along the b axis.

| S-EPMC2960299 | biostudies-literature

Bis[?-bis-(diphenyl-phosphan-yl)methane-?(2) P:P'](?-1-ethyl-thio-urea-?(2) S:S)bis-[iodidocopper(I)] acetonitrile sesquisolvate.

Project description:In the dinuclear title compound, [Cu2I2(C3H8N2S)(C25H22P2)2]·1.5CH3CN, each Cu(I) atom exhibits a distorted tetra-hedral coordination with two P atoms from two bis-(diphenyl-phosphan-yl)methane (dppm) ligands, one metal-bridging S atom from the 1-ethyl-thio-urea (ettu) ligand and one iodide ion. The dppm ligand and the bridging S atom of the ettu ligand force the two copper atoms into close proximity, leading to the formation of a close intra-molecular Cu?Cu contact [3.3747?(17)?Å]. The conformation of the dimeric complex is such that the two dppm ligands are located on one side of the dinuclear metal complex, while the two iodine atoms are pointed towards the other side of the complex, a conformation that is stabilized by two intra-molecular N-H?I hydrogen bonds between the ettu NH2 and NHEt moieties and the I atoms. Another pair of symmetry-equivalent N-H?I hydrogen bonds is established between neighboring mol-ecules across an inversion center, linking mol-ecules into dimers. The dimers are connected with each other and with the inter-stitial acetonitrile solvent mol-ecules via a range of weaker C-H?I and C-H?S inter-actions and through weak C-H?? inter-actions, leading to the formation of a three-dimensional network. One of the acetonitrile solvent mol-ecules is disordered in a 1:1 ratio across a crystallographic inversion center.

| S-EPMC3588258 | biostudies-literature

Crystal structure of bis-[μ-1,2-bis-(di-phenyl-phosphan-yl)ethane-κ(2) P:P']bis[(N,N'-di-ethyl-thio-urea-κS)iodidocopper(I)].

Project description:The binuclear title complex, [Cu2I2(C26H24P2)2(C5H12N2S)2], lies about an inversion centre. The Cu(I) atom displays a distorted tetra-hedral coordination geometry defined by one S atom of an N,N'-di-ethyl-thio-urea ligand, two P atoms derived from two bridging 1,2-bis-(di-phenyl-phosphan-yl)ethane (dppe) ligands and one iodide ion. The dppe ligand bridges two symmetry-related Cu(I) ions, forming a 10-membered Cu2P4C4 ring. An intra-molecular N-H⋯I hydrogen bond is noted. In the crystal, N-H⋯I hydrogen bonds link complex mol-ecules into layers parallel to (-101).

| S-EPMC4555430 | biostudies-literature

catena-Poly[[dichloridozinc(II)]-?-1,4-bis-(3-pyridylmeth-yl)piperazine].

Project description:In the title compound, [ZnCl(2)(C(16)H(20)N(4))](n), tetra-hedrally coordinated divalent Zn atoms are ligated by two Cl atoms and two N-donor atoms from two 1,4-bis-(3-pyridylmeth-yl)-piperazine (3-bpmp) ligands. The tethering 3-bpmp ligands promote the formation of [ZnCl(2)(3-bpmp)](n) chains situated parallel to (02). These chains aggregate via C-H?Cl inter-actions to form supra-molecular layers, which in turn stack to construct the three-dimensional crystal structure.

| S-EPMC2977589 | biostudies-literature

catena-Poly[[[bis-(thio-urea-κS)copper(I)]-μ-thio-urea-κS:S] iodide acetonitrile hemisolvate].

Project description:The title complex, {[Cu(CH(4)N(2)S)(3)]I·0.5CH(3)CN}(n), was formed by the reaction of CuI and thio-urea in acetonitrile. There are two independent Cu(I) ions in the asymmetric unit which are coordinated by two terminal and two bridging thio-urea ligands to form a one-dimensional helical chain structure progagating in the a-axis direction. Each Cu(I) ion is in a distorted tetra-hedral coordination environment. The crystal structure is stabilized by weak N-H⋯S and N-H⋯I hydrogen bonds.

| S-EPMC2960929 | biostudies-literature

1-Benzoyl-3,3-bis-(propan-2-yl)thio-urea.

Project description:Two independent thio-urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol-ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5?(2) and -19.9?(2)° for the two independent mol-ecules]. The thio-carbonyl and carbonyl groups lie to opposite sides of the mol-ecule as there are twists about the central N-S bond [torsion angles = 83.90?(15) and 81.77?(15)°]. Supra-molecular chains extending parallel to [101] with a stepped topology and mediated by N-H?O hydrogen bonding feature in the crystal structure. C-H?O and C-H?? inter-actions are also present.

| S-EPMC3007396 | biostudies-literature

1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(15)H(16)N(2)O(2)S, the N-C(=S) bond lengths are indicative of the presence of amide-type resonance. The dihedral angles between the thio-urea unit and the attached aromatic rings are 59.80?(5) and 73.41?(4)° while the dihedral angle between the rings is 56.83?(4)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds occur. An N-H?? inter-action is observed for the second amino group. The shortest centroid-centroid distance between two aromatic systems is 4.0958?(8)?Å.

| S-EPMC3247619 | biostudies-literature

1-[3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzoyl]-3,3-bis-(2-methyl-prop-yl)thio-urea.

Project description:The title compound, C26H42N4O2S2, adopts a shallow U-shape as both pendant arms of the 1,3-substituted benzene ring are orientated in the same direction. The thione S atoms lie to the same side of the benzene ring and the carbonyl O atoms to the other. The most prominent feature of the crystal packing is the formation of inversion dimers mediated by N-H?S hydrogen bonds. One of the 2-methyl-propyl groups is statistically disordered over two positions.

| S-EPMC3884506 | biostudies-literature

catena-Poly[[bis-(thio-cyanato-?N)cobalt(II)]-di-?-thio-urea-?(4)S:S].

Project description:In the title polymeric complex, [Co(NCS)(2){SC(NH(2))(2)}(2)](n), the asymmetric unit comprises a Co(II) ion, which is situated on an inversion centre, an N-bound thio-cyanate anion and a ?(2)-bridging thio-urea mol-ecule. The Co(II) atom is coordinated in a distorted octa-hedral fashion within an N(2)S(4) donor set. The bridging thio-urea ligands link Co(II) ions into a polymeric chain extending along [100]. The mol-ecular conformation is stabilized by intra-molecular N-H?N hydrogen bonds, which generate S(6) ring motifs. The crystal packing is stabilized by N-H?S inter-actions, which connect the chains into a three-dimensional architecture.

| S-EPMC3414167 | biostudies-literature

?(2)-Oxalato-bis-[triphen-yl(thio-urea-?S)tin(IV)].

Project description:The asymmetric unit of the binuclear title compound, [Sn(2)(C(2)O(4))(C(6)H(5))(6)(CH(4)N(2)S)(2)], consists of one half of the organotin(IV) mol-ecule. The remainder is generated by a twofold rotation axis passing through the mid-point of the oxalate C-C bond. The Sn(IV) atom exhibits a distorted trigonal-bipyramidal coordination environment with the phenyl groups in equatorial positions and the thio-urea and the monodentately bridging oxalate anion in axial positions. The mol-ecules are linked through N-H?O hydrogen bonds involving the amino group of the thio-urea ligand and the uncoordinating oxalate O atoms, forming layers parallel to (001). Weak C-H?O inter-actions are also present.

| S-EPMC3515101 | 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