Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(?-3-nitro-phthalato-?O:O)bis-[(thio-urea-?S)zinc] dihydrate.

ABSTRACT: In the title complex, [Zn(2)(C(8)H(3)NO(6))(2)(CH(4)N(2)S)(4)]·2H(2)O, the carboxyl-ate groups of the 3-nitro-phthalate ligands coordinate in a bis-monodentate mode to the Zn(II) cations. This results in the formation of a centrosymmetric dimer containing two Zn(II) cations with distorted tetra-hedral geometries provided by the O atoms of two different 3-nitro-phthalate dianions and the S atoms of two non-equivalent coordinated thio-urea mol-ecules. The crystal structure exhibits N-H?O and O-H?O hydrogen bonds which link the dimers into a three-dimensional network.

SUBMITTER: Gao HP

PROVIDER: S-EPMC3297227 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(μ-3-nitro-phthalato-κO:O)bis-[(thio-urea-κS)zinc] dihydrate.

Gao Hui-Peng HP Guo Ming-Lin ML

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the title complex, [Zn(2)(C(8)H(3)NO(6))(2)(CH(4)N(2)S)(4)]·2H(2)O, the carboxyl-ate groups of the 3-nitro-phthalate ligands coordinate in a bis-monodentate mode to the Zn(II) cations. This results in the formation of a centrosymmetric dimer containing two Zn(II) cations with distorted tetra-hedral geometries provided by the O atoms of two different 3-nitro-phthalate dianions and the S atoms of two non-equivalent coordinated thio-urea mol-ecules. The crystal structure exhibits N-H⋯O and O-H⋯O ...[more]

PMID: 22412417

Similar Datasets

catena-Poly[[bis-(1-methyl-1H-imidazole-?N)zinc]-?-3-nitro-phthalato-?O:O].

Project description:In the title complex, [Zn(C(8)H(3)NO(6))(C(4)H(6)N(2))(2)](n), the carboxyl-ate groups of the 3-nitro-phthalate dianion ligand coordinate the Zn(II) ion in a bis-monodentate mode. The Zn(II) ion shows distorted tetra-hedral coordination as it is bonded to two O atoms from the carboxyl-ate groups of symmetry-related 3-nitro-phthalate anions and two N atoms of two independent 1-methyl-imidazole mol-ecules. The bridging 3-nitro-phthalate ligand allows the formation of one-dimensional chains in the c direction. The crystal structure is further stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3297226 | biostudies-literature

Aqua-(4-nitro-phthalato)bis-[2-(1H-pyrazol-3-yl)pyridine]-zinc(II) hemihydrate.

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(8)H(7)N(3))(2)(H(2)O)]·0.5H(2)O, the Zn(II) atom shows a distorted octa-hedral ZnN(4)O(2) coordination environment and is bonded to two 3-(2-pyrid-yl)-1H-pyrazole ligands via the N atoms, one monodentate 4-nitro-phthalate ligand and one associated water mol-ecule. Additionally, one water of crystallization, with a site-occupation factor of 0.5, is present. The two 3-(2-pyrid-yl)-1H-pyrazole ligands are planar [r.m.s. deviations = 0.03?(1) and 0.35?(1)?Å] and the dihedral angle between the two planar 3-(2-pyrid-yl)-1H-pyrazole ligands is 67.31?(4)°. Inter-molecular ?-? stacking inter-actions between 3-(2-pyrid-yl)-1H-pyrazole ligands with a face-to-face separation of 3.64?(1)?Å are observed. Moreover, the crystal structure is stabilized by O-H?O and N-H?O hydrogen bonds between the water of crystallization, the associated water mol-ecule and the 3-(2-pyrid-yl)-1H-pyrazole ligands.

| S-EPMC3050407 | biostudies-literature

Bis(?-3-nitro-phthalato-?O:O)bis-[aqua-(2,2'-bipyridine-?N,N')copper(II)] dihydrate.

Project description:Two 3-nitro-phthalate dianions bridge two water-coordinated 2,2'-bipyridine-chelated Cu(II) atoms about a center of inversion to generate the title dinuclear compound, [Cu(2)(C(8)H(3)NO(6))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O. The geometry of the Cu(II) atom is a distorted square pyramid. Adjacent mol-ecules are linked through the coordinated and solvent water mol-ecules to form a linear ribbon running along the a axis of the monoclinic unit cell.

| S-EPMC3009171 | biostudies-other

Bis(?-4-nitro-phthalato)bis-[diaqua-(1,10-phenanthroline)manganese(II)].

Project description:In the title compound, [Mn(2)(C(8)H(3)NO(6))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)], the Mn(II) atom in the centrosymmetric binuclear unit has a distorted octa-hedral geometry and is coordinated by a chelating 1,10-phenanthroline ligand, two monodentate carboxyl-ate anions from two 4-nitro-phthalates and two coordinated water mol-ecules. The two Mn(II) ions in the mol-ecule are bridged by two 4-nitro-phthalate anions, both in a bis-monodentate mode, which finally leads to the formation of the binuclear unit. Intra-molecular O-H?O hydrogen bonds between the coordinated and uncoordinated O atoms of one monodentate carboxyl-ate group and the corresponding coordinated water mol-ecules result in an eight-membered and two six-membered rings. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the dinuclear mol-ecules into supra-molecular chains propagating parallel to [100].

| S-EPMC2977488 | biostudies-literature

Crystal structure of bis-(piperazin-1-ium-?N4)bis-(thio-sulfato-?S)zinc(II) dihydrate.

Project description:In the title compound, [Zn(C4H11N2)2(S2O3)2]·2H2O, two thio-sulfate ions coordinate to the zinc(II) atom through the terminal S atoms. The tetra-hedral coordination around the ZnII ion is completed by ligating to two N atoms of two piperazinium ions. The remaining two N atoms of the piperazinium ions are diprotonated and do not coordinate to the metal centre. In the crystal, however, they are involved in N-H?Owater and N-H?Osulfato hydrogen bonds. Together, a series of N-H?O and O-H?O hydrogen bonds, involving the O atoms of the thio-sulfate ions and the water mol-ecules as acceptors and the hydrogen atoms of the piperazinium ions and the water mol-ecules as donors, form a three-dimensional supra-molecuar structure. Within this framework there are a number of intra- and inter-molecular C-H?O and C-H?S contacts present.

| S-EPMC5956331 | biostudies-literature

Bis(thio-semicarbazide)nickel(II) bis-[2-(thio-semicarbazonometh-yl)benzene-sulfonate] dihydrate.

Project description:In the title compound, [Ni(CH(5)N(3)S)(2)](C(8)H(8)N(3)O(3)S(2))(2)·2H(2)O, the Ni(II) atom lies on a inversion centre and is four-coordinated by two N and two S atoms of two thio-semicarbazide ligands in an almost square-planar coordination. In the crystal structure, the molecules are linked into a three-dimensional network via C-H?O, C-H?N, N-H?O, N-H?S and O-H?O hydrogen bonds.

| S-EPMC2969405 | biostudies-literature

Crystal structure of bis-(thio-cyanato-?S)bis-(thio-urea-?S)mercury(II).

Project description:In the title complex, [Hg(NCS)2(CH4N2S)2], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thio-cyanate groups and two thio-urea groups. The S-Hg-S angles are 172.02?(9)° for the trans-thio-cyanate S atoms and 90.14?(5)° for the cis-thio-urea S atoms. The mol-ecular structure is stabilized by an intra-molecular N-H?S hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by a number of N-H?N and N-H?S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ?). Rocz. Chem. 40, 547-569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.

| S-EPMC4384628 | biostudies-literature

1-(2-Nitro-phen-yl)-3-phenyl-thio-urea.

Project description:The title compound, C(13)H(11)N(3)O(2)S, was prepared by reaction of 2-nitro-benzenamine, KOH and 1-isothio-cyanato-benzene in an ethanol solution at room temperature. The dihedral angles formed between the thiourea plane and the phenyl rings are 61.9 and 31.0°. The dihedral angle between the two phenyl rings is 78.1°. In the crystal structure, there are weak inter-molecular N-H?S and C-H?S hydrogen-bonding inter-actions.

| S-EPMC2915211 | biostudies-literature

Bis(pyridine-2-carbaldehyde thio-semi-carbazone)zinc(II) dinitrate dihydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(7)H(8)N(4)S)(2)](NO(3))(2)·2H(2)O, contains two Zn(pht)(2) cations (pht is pyridine-2-carbaldehyde thio-semicarbazone), four nitrate anions and four water mol-ecules. In the cations, each Zn(II) ion adopts a distorted octa-hedral coordination geometry, being chelated by two tridentate pht ligands. In the crystal, the cations, anions and water mol-ecules are connected via O-H?O and N-H?O hydrogen bonds into a three-dimensional network.

| S-EPMC2983178 | biostudies-other

catena-Poly[[bis-(1-allyl-imidazole)zinc(II)]-?-phthalato-?O:O].

Project description:The structure of the title compound, [Zn(C(8)H(4)O(4))(C(6)H(8)N(2))(2)](n), exhibits polymeric zigzag chains extended along the c axis. The Zn(II) ion is coordinated by two N [Zn-N = 2.008?(6) and 2.012?(6)?Å] and two O [Zn-O = 1.959?(5) and 1.985?(5)?Å] atoms in a distorted tetra-hedral geometry. Weak C-H?O inter-actions contribute to the crystal packing stability.

| S-EPMC2983726 | 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