Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of [?2-3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-dithiol-ato-?(4) S:S':S:S']bis[tricarbonyl-iron(I)](Fe-Fe).

ABSTRACT: The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(?-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand. Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921?(4)?Å]. Weak C-H?O inter-molecular inter-actions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ate) ligand and the first in which it bridges two metal atoms.

SUBMITTER: Zhao P

PROVIDER: S-EPMC4645041 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-dithiol-ato-κ(4) S:S':S:S']bis[tricarbonyl-iron(I)](Fe-Fe).

Zhao Peihua P Bertke Jeffery A JA Rauchfuss Thomas B TB

Acta crystallographica. Section E, Crystallographic communications 20151010 Pt 11

The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L = 3,3-dimethyl-4-(propan-2-yl-idene)thietane-2,2-bis-(thiol-ato)], consists of two Fe(CO)3 moieties double-bridged by a di-thiol-ate ligand. Each of the two Fe(I) atoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the di-thiol-ate ligand and the neighboring Fe(I) atom [Fe-Fe = 2.4921 (4) Å]. Weak C-H⋯O inter-molecular inter-actions result in the formation of dimers. This ...[more]

PMID: 26594495

Similar Datasets

?(4)-Sulfido-bis-{(?-2-furyl-methane-thiol-ato)bis-[tricarbonyl-iron](Fe-Fe)}.

Project description:The title compound, [Fe(4)(C(5)H(5)OS)(2)S(CO)(12)], was prepared by the direct reaction of Fe(3)(CO)(12) and 2-furyl-methane-thiol in tetra-hydro-furan. Desulfurization took place readily to form an Fe(4)S(3) cluster. The mol-ecule consists of two similar [(?-2-C(4)H(3)O-CH(2)S)Fe(2)(CO)(6)] moieties joined to a spiro-type four-coordinate ?(4)-S atom such that this bridging sulfur is tetra-hedrally coordinated to the four Fe atoms. In each diiron subcluster core, the 2-furyl-methane-thiol-ate ligand bridges the two Fe atoms.

| S-EPMC3007034 | biostudies-literature

3,3'-Dimeth-oxy-2,2'-[(4,5-dimethyl-o-phenyl-ene)bis-(nitrilo-methanylyl-idene)]diphenol.

Project description:The asymmetric unit of the title compound, C(24)H(24)N(2)O(4), comprises two crystallographically independent mol-ecules A and B. The dihedral angles between the central dimethyl-substituted benzene ring and the two outer benzene rings are 49.5 (1) and 5.06 (11)° in mol-ecule A, and 42.55 (8) and 5.77 (9)° in mol-ecule B. In each mol-ecule, two strong intra-molecular O-H⋯N hydrogen bonds generate two S(6) ring motifs. The crystal structure is further stabilized by inter-molecular π-π [centroid-centroid distances of 3.591 (1)-3.876 (1) Å] inter-actions.

| S-EPMC3052052 | biostudies-literature

3,3'-Dimethyl-1,1'-[(1,3-dihy-droxy-propane-2,2-di-yl)dimethyl-idene]diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(13)H(22)N(4)O(2) (2+)·2PF(6) (-), was prepared by the anion exchange of the dibromide ionic liquid with potassium hexa-fluoro-phosphate. The two imidazole rings are each planar (r.m.s. deviations = 0.0016 and 0.0060?Å) and make a dihedral angle of 45.3?(18)°. Intra-molecular O-H?F hydrogen bonds occur. Inter-molecular C-H?F, O-H?O and C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3011425 | biostudies-literature

Hexa-kis-(dimethyl sulfoxide-?O)nickel(II) bis-(2,2-dicyano-ethene-1,1-dithiol-ato-?S,S')nickelate(II).

Project description:The reaction of NiCl(2)·6H(2)O with sodium 2,2-dicyano-ethene-1,1-dithiol-ate [Na(2)(i-mnt)] in dimethyl sulfoxide produces the title complex, [Ni(C(2)H(6)OS)(6)][Ni(C(4)N(2)S(2))(2)]. There is half each of an [Ni(C(2)H(6)OS)(6)](2-) complex anion and an [Ni{(CH(3))(2)SO}(6)](2+) complex cation in the asymmetric unit. The i-mnt ligand coordinates in a bidentate manner to the Ni atom in the anion through the two chelating S atoms in an approximate square-planar geometry. The Ni atom in the complex cation has an octahedral coordination environment with six dimethyl sulfoxide mol-ecules as ligands.

| S-EPMC3254330 | biostudies-literature

Tricarbonyl-bis-(1,3-diisopropyl-4,5-dimethyl-imidazol-2-yl-idene)iron.

Project description:In the title compound, [Fe(C11H20N2)2(CO)3], the Fe atom shows a distorted trigonal-bipyramidal geometry with three carbonyl and two carbene ligands. The latter have a cis arrangement, with a C-Fe-C angle of 90.60?(7)°. The Fe atom lies 0.007?(1)?Å above the basal plane defined by two carbonyl and one carbene C atoms. The mol-ecular structure is closely related to that of the isomolecular but not isotypic Ru complex with an identical cis arrangement, so, in general, bond geometries lie in expected ranges. In the crystal, C-H?O hydrogen bonds link the mol-ecules into infinite zigzag chains extending along [010].

| S-EPMC3588795 | biostudies-literature

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(4,4'-dimethyl-2,2'-bipyridine-?N,N')copper(II)].

Project description:The mol-ecule of the title binuclear copper(II) complex, [Cu(2)(C(14)H(8)O(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(2)], is bis-ected by a crystallographic twofold axis. Each Cu(II) atom is coordinated in a distorted octa-hedral geometry by three O atoms from two biphen-yl-2,2'-dicarboxyl-ate anions, one aqua O atom and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand. Intramolecular O-H?O hydrogen bonds between the coordinated water molecules and the carboxylate O atoms are also present.

| S-EPMC2971185 | biostudies-literature

Tetra-n-butyl-ammonium bis-(2,2-dicyano-ethyl-ene-1,1-dithiol-ato)palladium(II).

Project description:In the title compound, (C(16)H(36)N)(2)[Pd(C(4)N(2)S(2))(2)], the Pd(II) center adopts a distorted square-planar geometry due to the four-membered chelate rings formed by coordination of the 2,2-dicyano-ethyl-ene-1,1-dithiol-ate (i-mnt) ligands [bite angle 75.0159 (17)°]. The bond distances in the coordinated i-mnt ligands indicate some delocalization of the π-system.

| S-EPMC2959997 | biostudies-literature

Tetra-n-butyl-ammonium bis-(1,1-dicyano-ethyl-ene-2,2-dithiol-ato)platinum(II).

Project description:In the title compound, (C(16)H(36)N)(2)[Pt(C(4)N(2)S(2))(2)], the Pt(II) center adopts a distorted square-planar geometry due to the 4-membered chelate rings formed by coordination to the S atoms of the 1,1-dicyano-ethyl-ene-2,2-dithiol-ate (i-mnt) ligands [bite angle 74.35 (4)°]. The bond distances in the coordinated i-mnt ligands indicate some delocalization of the π-system.

| S-EPMC2959936 | biostudies-literature

N,N-Bis(2-hydroxy-benzyl-idene)-2,2'-bipyridyl-3,3'-dicarbohydrazide.

Project description:In the title compound, C(26)H(20)N(6)O(4), the two aroylhydrazone side groups exist as diastereomeres, both in the keto form in the crystal structure. The aroylhydrazone units support the mol-ecular conformation through an intra-molecular N-H⋯O hydrogen bond. Two mol-ecules are connected into a centrosymmetric dimer by inter-molecular N-H⋯N hydrogen bonds. These dimers are connected into chains along the a axis by inter-molecular O-H⋯O hydrogen bonds. The combination of these hydrogen bonds results in layers in the bc plane. The layers are further linked by weak C-H⋯π contacts to form a three-dimensional network structure.

| S-EPMC2967985 | biostudies-literature

catena-Poly[[bis-(dimethyl-ammonium) [cadmate(II)-bis-(?-1,1':4',1''-terphenyl-3,3''-dicarboxyl-ato)]] dimethyl-formamide disolvate].

Project description:In the title compound, {(C(2)H(8)N)(2)[Cd(C(20)H(12)O(4))(2)]·2C(3)H(7)NO}(n), the Cd(II) ion lies on a twofold rotation axis and is in a distorted octa-hedral CdO(6) environment, defined by four O atoms of two ?(2)-coordinated 1,1':4',1''-terphenyl-3,3''-dicarboxyl-ate (DCT) ligands and two O atoms of two ?(1)-coordinated DCT ligands. Both types of DCT ligands act as bridging, forming a one-dimensional polymeric structure propagating parallel to [10].

| S-EPMC3050304 | 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