Browse
Submit Data
Databases
API
Help

Dataset Information

5 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(?-4-hydr-oxy-2-oxidobenzaldehyde 4-ethyl-thio-semicarbazone)-?O,N,S:O;?O:O,N,S-bis-[chloridozinc(II)] dimethyl sulfoxide tris-olvate.

ABSTRACT: The two Zn(II) atoms in the title compound, [Zn(2)(C(10)H(12)N(3)O(2)S)(2)Cl(2)]·3C(2)H(6)OS, are each N,O,S-chelated by a mono-deprotonated Schiff base ligand. The Zn atoms are bridged through the phenolate O atom, leading to a central Zn(2)O(2) core. Each Zn atom has a Cl atom in the apical position of a distorted square-pyramidal environment. Hydr-oxy-DMSO (DMSO is dimethyl sulfoxide) O-H?O and amide-DMSO N-H?O hydrogen bonds link the components of the crystal structure. Two of the DMSO mol-ecules are partially disordered, with each modelled over two sites of equal weight.

SUBMITTER: Tan KW

PROVIDER: S-EPMC2977597 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(μ-4-hydr-oxy-2-oxidobenzaldehyde 4-ethyl-thio-semicarbazone)-κO,N,S:O;κO:O,N,S-bis-[chloridozinc(II)] dimethyl sulfoxide tris-olvate.

Tan Kong Wai KW Ng Chew Hee CH Maah Mohd Jamil MJ Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090422 Pt 5

The two Zn(II) atoms in the title compound, [Zn(2)(C(10)H(12)N(3)O(2)S)(2)Cl(2)]·3C(2)H(6)OS, are each N,O,S-chelated by a mono-deprotonated Schiff base ligand. The Zn atoms are bridged through the phenolate O atom, leading to a central Zn(2)O(2) core. Each Zn atom has a Cl atom in the apical position of a distorted square-pyramidal environment. Hydr-oxy-DMSO (DMSO is dimethyl sulfoxide) O-H⋯O and amide-DMSO N-H⋯O hydrogen bonds link the components of the crystal structure. Two of the DMSO mol-e ...[more]

PMID: 21583783

Similar Datasets

2-Hydr-oxy-5-nitro-benzaldehyde thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(8)H(8)N(4)O(3)S, is planar. Adjacent mol-ecules are linked through O-H?S, N-H?S and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC2962218 | biostudies-literature

(E)-2-Hydr-oxy-3-methoxy-benzaldehyde thio-semicarbazone.

Project description:In the title compound, C(9)H(11)N(3)O(2)S, intra-molecular O-H?O and N-H?N hydrogen bonds contribute to the planarity of the mol-ecular skeleton. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into zigzag chains along the b axis; these mol-ecules are futher paired by ?-? inter-actions [centroid-centroid distance 4.495?(5)?Å]. The crystal structure also exhibits weak inter-molecular N-H?S and O-H?S hydrogen bonds.

| S-EPMC2961450 | biostudies-literature

3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(11)N(3)O(2)S·0.5H(2)O, comprises two crystallograpically independent thio-semicarbazone mol-ecules (A and B) and a water mol-ecule of crystallization. In each of the thio-semicarbazone mol-ecules, intra-molecular O-H⋯O and N-H⋯N hydrogen bonds form five-membered rings, producing S(5) ring motifs. Inter-molecular O-H⋯S and N-H⋯O inter-actions between mol-ecule B and the water mol-ecule form a six-membered ring, producing an R(2) (2)(6) ring motif. Inter-molecular N-H⋯S hydrogen bonds form dimers involving pairs of both A and B mol-ecules, which form R(2) (2)(8) ring motifs. The angles between the aromatic ring and thio-urea unit in the two mol-ecules are 0.80 (6) and 3.28 (5)°, which proves that each mol-ecule is fairly planar. The crystal structure is stabilized by inter-molecular O-H⋯S (×2), O-H⋯O, N-H⋯S (×2) and N-H⋯O (×2) hydrogen bonds and C-H⋯O (×2) contacts to form a three-dimensional network.

| S-EPMC2959916 | biostudies-literature

4-Hy-droxy-3-meth-oxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:In the crystal structure of the title compound, C11H15N3O2S, the C-N-N-C and C-N-C-C torsion angles involving the benzene ring and ethyl group are 11.91?(15) and 99.4?(2)°, respectively. An intra-molecular N-H?N hydrogen bond is observed. In the crystal, mol-ecules are linked via N-H?O and N-H?S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along the a axis.

| S-EPMC4158485 | biostudies-literature

(Dimethyl sulfoxide-?O)bis-(thio-semicarbazide-?N,S)zinc dipicrate dimethyl sulfoxide solvate monohydrate.

Project description:The title complex, [Zn(CH(5)N(3)S)(2)(C(2)H(6)OS)](C(6)H(2)N(3)O(7))(2)·C(2)H(6)OS·H(2)O, is composed of a [Zn(thio-semi-carbazide)(2)(DMSO)](2+) cation (where DMSO is dimethyl sulfoxide), and two picrate anions. In the asymmetric unit, there is also a solvent mol-ecule of DMSO and a water mol-ecule of crystallization. In the cation, the Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry. It coordinates to the O atom of a DMSO mol-ecule and to the S and one N atom of two thio-semicarbazide mol-ecules, which behave as bidentate ligands coordinating in a trans arrangement. In the crystal, a number of N-H?O, O-H?O and N-H?S hydrogen bonds link the mol-ecules into two-dimensional networks. These networks are further linked via weak C-H?O inter-actions, forming a three-dimensional arrangement. Positional disorder in one methyl group of the coordinated DMSO molecule and in the two picrate anions was observed.

| S-EPMC3051735 | biostudies-literature

Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the crystal of the title compound, C(16)H(19)O(4)P, the mol-ecules are dimerized with R(2) (2)(10) ring motifs through the hydr-oxy and P=O O atoms. The dihedral angle between the aromatic rings is 66.89?(9)°. There are ?-? inter-actions [centroid-centroid distance = 3.9669?(16)?Å] between the benzene rings of adjacent benzyl groups. A C-H?? inter-action between the aromatic rings where C-H is from a benzyl group is also present.

| S-EPMC2977278 | biostudies-literature

Dimethyl (1-hydr-oxy-1,2-diphenyl-ethyl)phospho-nate.

Project description:In the mol-ecule of the title compound, C(16)H(19)O(4)P, the coordination around the P atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 72.28?(11)°. Intra-molecular C-H?O hydrogen bonding result in the formation of five- and six-membered rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is also a weak C-H?? inter-action.

| S-EPMC2968507 | biostudies-literature

4-(Dimethyl-amino)benzaldehyde 4-ethyl-thio-semicarbazone.

Project description:The title thio-semicarbazone derivative, C(12)H(18)N(4)S, features intra-molecular N-H?N and C-H?S hydrogen bonds which generate S(5) ring motifs. The dihedral angle between the benzene ring and the thio-urea unit is 6.30?(6)° indicating planarity in the mol-ecule. Inter-molecular N-H?S hydrogen bonds generate dimers with an R(2) (2)(8) ring motif. The methyl group of the N-ethyl residue is disordered and was refined with site occupancies of 0.521?(5) and 0.479?(5).

| S-EPMC2960080 | biostudies-other

Bis[4-hydr-oxy-N'-(4-meth-oxy-2-oxido-benzyl-idene-?O)benzohydrazidato-?O,N']cadmium(II) dimethyl sulfoxide disolvate.

Project description:The metal atom in the title compound, [Cd(C(15)H(13)N(2)O(4))(2)]·2C(2)H(6)OS, is twice O,N,O'-chelated by two symmetry-related Schiff base ligands to define a trans-N(2)O(4) octa-hedral geometry. Each anion occupies meridional sites of the octa-hedron; the metal atom lies on a special position of site symmetry 2. The dimethyl sulfoxide mol-ecule is a hydrogen-bond acceptor to the -NH- unit, and O-H?O hydrogen bonds link mol-ecules into a supra-molecular chain.

| S-EPMC2977592 | biostudies-literature

trans-Bis(dimethyl sulfoxide-?O)bis-(thio-semicarbazide-?N,S)cadmium dipicrate dihydrate.

Project description:In the cation of the title compound, [Cd(CH(5)N(3)S)(2)(C(2)H(6)OS)(2)](C(6)H(2)N(3)O(7))(2)·2H(2)O, the Cd(II) atom is located on an inversion center. It is hexa-coordinated in an octahedral fashion by two thio-semicarbazide mol-ecules, which coordinate in a bidentate manner via the S and N atoms, and to the O atom of two dimethyl sufoxide (DMSO) mol-ecules. The charges are equilibrated by two picrate anions and the complex crystallizes as a dihydrate. In the crystal, these units are linked by a number of O-H?O and N-H?S hydrogen bonds and weak C-H?O inter-actions, forming a three-dimensional network.

| S-EPMC3050361 | 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