Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structures of (2,2'-bipyridyl-κ(2) N,N')bis-[N,N-bis-(2-hydroxy-eth-yl)di-thio-carbamato-κ(2) S,S']zinc dihydrate and (2,2'-bipyridyl-κ(2) N,N')bis-[N-(2-hydroxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S']zinc.

ABSTRACT: The common feature of the title compounds, [Zn(C5H10NO2S2)2(C10H8N2)]·2H2O, (I), and [Zn(C6H12NOS2)2(C10H8N2)], (II), is the location of the Zn(II) atoms on a twofold rotation axis. Further, each Zn(II) atom is chelated by two symmetry-equivalent and symmetrically coordinating di-thio-carbamate ligands and a 2,2'-bi-pyridine ligand. The resulting N2S4 coordination geometry is based on a highly distorted octa-hedron in each case. In the mol-ecular packing of (I), supra-molecular ladders mediated by O-H⋯O hydrogen bonding are found whereby the uprights are defined by {⋯HO(water)⋯HO(hy-droxy)⋯} n chains parallel to the a axis and with the rungs defined by 'Zn[S2CN(CH2CH2)2]2'. The water mol-ecules connect the ladders into a supra-molecular layer parallel to the ab plane via water-O-H⋯S and pyridyl-C-H⋯O(water) inter-actions, with the connections between layers being of the type pyridyl-C-H⋯S. In (II), supra-molecular layers parallel to the ab plane are sustained by hy-droxy-O-H⋯S hydrogen bonds with connections between layers being of the type pyridyl-C-H⋯S.

SUBMITTER: Safbri SA

PROVIDER: S-EPMC4770968 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(2,2'-Bipyridyl-?N,N')bis-(N-butyl-N-methyl-dithio-carbamato-?S,S')cadmium(II).

Project description:The Cd(II) atom in the title compound, [Cd(C(6)H(12)NS(2))(2)(C(10)H(8)N(2))], is hexa-coordinated by two dithio-carbamate ligands and the N atoms from a bidentate 2,2'-bipyridyl mol-ecule. The coordination geometry is based on a distorted trigonal-prismatic arrangement of the N(2)S(4) donor set. Supra-molecular chains, aligned along the a-axis direction, are mediated by C-H?S inter-actions and these are connected into layers that stack along the c axis via ?-? inter-actions [Cg(pyrid-yl)?Cg(pyrid-yl) = 3.6587?(13)?Å].

| S-EPMC3052129 | biostudies-literature

(2,2'-Bipyrid-yl)bis-[N,N-bis-(2-hydroxy-ethyl)dithio-carbamato-?S,S']cadmium(II).

Project description:The title compound, [Cd(C(5)H(10)NO(2)S(2))(2)(C(10)H(8)N(2))], features a trigonal-prismatic coordination geometry for the Cd(II) ion, based on an N(2)S(4) donor set defined by two chelating dithio-carbamate ligands and a 2,2'-bipyridyl ligand. In the crystal, extensive O-H?O hydrogen bonding results in the formation of 12-membered {?HO}(6) synthons and one-dimensional supra-molecular chains with further O-H?S inter-actions providing additional stability to the linear chain with base vector [01].

| S-EPMC2971885 | biostudies-other

(2,2'-Bipyridine-κN,N')bis-(N-ethyl-N-methyl-dithio-carbamato-κS,S')zinc(II).

Project description:The complete mol-ecule of the title compound, [Zn(C(4)H(8)NS(2))(2)(C(10)H(8)N(2))], is generated by crystallographic twofold symmetry, with the Zn atom lying on the rotation axis; the axis also bis-ects the central C-C bond of the 2,2'-bipyridine mol-ecule. The metal atom is chelated by two S,S'-bidentate dithio-carbamate anions and the N,N'-bidentate heterocycle, resulting in a distorted cis-ZnN(2)S(4) octa-hedral geometry. The methyl and ethyl groups of the anion are statistically disordered.

| S-EPMC2979959 | biostudies-literature

Bis[N-benzyl-N-(2-phenyl-eth-yl)dithio-carbamato-?(2)S,S']lead(II).

Project description:The mol-ecule of the title compound, [Pb(C(16)H(16)NS(2))(2)], is located on a twofold rotation axis, which runs through the Pb(II) atom. The two dithio-carbamate ligands coordinate the metal in a pyramidal configuration through the S atoms. The two phenyl rings of each dithocarbamate ligand are aligned at a dihedral angle of 78.4?(1)°. The mol-ecular conformation is stabilized by intra-molecular C-H?S inter-actions.

| S-EPMC3435626 | biostudies-literature

Bis[eth-yl(2-hydroxy-ethyl)aza-nium] 2,2'-disulfanediyldibenzoate.

Project description:The asymmetric unit of the title salt, 2C(4)H(12)NO(+)·C(14)H(8)O(4)S(2) (2-), contains an eth-yl(2-hydr-oxy)aminium cation and half a 2,2'-disulfanediyldibenzoate anion, with the latter disposed about a twofold axis. The cation is a straight chain with the exception of the terminal hydr-oxy group [the N-C-C-O torsion angle is 66.5?(2)°]. A twisted conformation is found for the anion [the C-S-S-C torsion angle is 91.51?(9)° and the dihedral angle between the rings is 81.01?(4)°]. A supra-molecular chain with base vector [101] and a tubular topology is formed in the crystal structure mediated by charge-assisted O-H?O(-) and N(+)-H?O(-) hydrogen bonding.

| S-EPMC2983623 | biostudies-literature

Bis[N-(2-hy-droxy-eth-yl)-N-methyl-dithio-carbamato-?S][2,4,6-tris-(pyridin-2-yl)-1,3,5-triazine-?N,N,N]zinc dioxane sesquisolvate.

Project description:The asymmetric unit of the title compound, [Zn(C(4)H(8)NOS(2))(2)(C(18)H(12)N(6))]·1.5C(4)H(8)O(2), comprises a Zn-containing mol-ecule and one and a half dioxane mol-ecules as one of the solvent mol-ecules is located about a crystallographic inversion centre. The approximately square-pyramidal N(3)S(2) donor set is defined by two monodentate dithio-carbamate ligands and two pyridine and one triazine N atom from the tridentate triazine ligand. Mol-ecules are connected into a supra-molecular array via O-H?S and O-H?N hydrogen bonds. These stack along the b axis and the solvent mol-ecules reside in the channels thus formed.

| S-EPMC3297268 | biostudies-literature

Bis[N,N-bis-(2-hydroxy-ethyl)dithio-carbamato-κS,S']copper(II).

Project description:In the title compound, [Cu(C(5)H(10)NO(2)S(2))(2)], the Cu(II) cation is chelated by two bis-(2-hydroxy-ethyl)dithio-carbamate anions with a distorted square-planar coordination geometry. Inter-molecular O-H⋯O hydrogen bonding is observed between the terminal hydr-oxy groups in the crystal structure.

| S-EPMC2971934 | biostudies-literature

Bis[N-(2-hy-droxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis.

Project description:The title compound, [Cd(C6H12NOS2)2(C4H10N2)], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di-thio-carbamate ligands are chelating, forming similar Cd-S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine mol-ecule, which adopts a chair conformation, occupies the apical site. In the crystal, supra-molecular layers propagating in the ac plane are formed via hy-droxy-O-H⋯O(hy-droxy), hy-droxy-O-H⋯N(terminal-piperazine) and coordinated-piperazine-N-H⋯O(hy-droxy) hydrogen bonds; the layers also feature methine-C-H⋯S inter-actions and S⋯S [3.3714 (10) Å] short contacts. The layers stack along the b-axis direction with very weak terminal-piperazine-N-H⋯O(hy-droxy) inter-actions between them. An evaluation of the Hirshfeld surfaces confirms the importance of inter-molecular inter-actions involving oxygen and sulfur atoms.

| S-EPMC4770960 | biostudies-literature

Bis(?-N-benzyl-N-tetra-decyl-dithio-carbamato-?S:S')bis-[(N-benzyl-N-tetra-decyl-dithio-carbamato-?S,S')zinc(II)].

Project description:In the title compound, [Zn(2)(C(22)H(36)NS(2))(4)], two bidentate dithio-carbamate groups chelate directly to the Zn(II) atoms, whereas the two remaining dithio-carbamate ligands bridge the Zn atoms via a crystallographic inversion centre. The Zn atoms show a strongly distorted tetra-hedral geometry. Adding the long S?S distance with the inversion centre being in the middle, the resulting five-coordinate geometry around the Zn atoms can be considered to be between distorted recta-ngular pyramidal and trigonal bipyramidal, with a calculated ? value of 0.31. In this dimer complex, two inversion-related tetra-decyl carbon chains exhibit all-trans conformations, and the other two chains show a cis conformation at the end of the chains.

| S-EPMC2969063 | biostudies-literature

Bis(N-isobutyl-N-propyl-dithio-carbamato-?S,S')zinc(II).

Project description:In the title compound, [Zn(C(8)H(16)NS(2))(2)], the Zn(II) atom is chelated by two S,S'-bidentate dithio-carbamate ions in a very distorted tetra-hedral geometry. The alkyl chains of the ligands are equally disordered over two sets of sites.

| S-EPMC2979964 | 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