Crystallography
Translations : crystallography ; cristallographie
Domain : chemistry
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Structure
Data language
Project
Collection
Datatype
Access
Data acquisition method
Audience
Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds
Dataset
Collected date : from 2017 to 2019
A novel series of 14 spiropyrrolidines bearing thiochroman-4-one/chroman-4-one, and oxindole/acenaphthylene-1,2-dione moieties were synthesized and characterized by spectroscopic techniques, as well as by three X-ray diffraction studies, corroborating the stereochemistry. Quantum chemical ...
Synthesis, antidiabetic activity and molecular docking study of rhodanine-substitued spirooxindole pyrrolidine derivatives as novel α-amylase inhibitors
Dataset
Collected date : from 2017 to 2020
In a sustained search for novel α-amylase inhibitors for the treatment of type 2 diabetes mellitus (T2DM), we report herein the synthesis of a series of nineteen novel rhodanine-fused spiro[pyrrolidine-2,3′-oxindoles]. They were obtained by one-pot three component [3 + 2] cycloaddition of stabilized ...
Diversity-oriented Synthesis of Spiropyrrolo[1, 2-a]isoquinoline Derivatives via Diastereoselective and Regiodivergent Three-component 1,3-Dipolar Cycloaddition Reactions: In vitro and in vivo Evaluation of the Antidiabetic Activity of Rhodanine Analogues
Dataset
Collected date : from 2018 to 2021
An efficient diastereoselective route is developed to get access to novel spiropyrrolo[1,2-a]isoquinoline-oxindole skeletons by a one-potthree-component [3 + 2] cycloaddition reaction of (Z)-5-arylidene-1,3-thiazolidine-2,4-diones, isatin derivatives, and 1,2,3,4-tetrahydroisoquinoline (THIQ). ...
Control of Structures and Emission Properties of (CuI)n 2-Methyldithiane Coordination Polymers
Dataset
Collected date : from 2016 to 2018
A structurally unique and strongly luminescent nonporous 3D coordination polymer (CP) [Cu8I8(methyldithiane)4]n, CP3, has been prepared in a quasi-anticipated manner from 2-methyl-1,3-dithiane, L1, and CuI. This CP incorporates an unprecedented Cu8I8 cluster built upon two side-fused open cubanes. ...
A Fused Poly(truncated rhombic dodecahedron)-Containing 3D Coordination Polymer: A Multifunctional Material with Exceptional Properties
Dataset
Collected date : from 2016 to 2021
The design of new and inexpensive metal-containing functional materials is of great interest. Herein is reported a unique thermochromic near-IR emitting coordination polymer, 3D-[Cu8I8(L1)2]n, CP2, which is formed when ArS(CH2)4SAr (L1, Ar = 4-C6H4OMe) reacts with 2 equiv of CuI in EtCN. In MeCN, ...
Crystal structure of di-[mu]-iodido-bis[bis(acetonitrile-[kappa]N)copper(I)]
The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2 core [Cu...Cu distance = 2.7482 (11) Å], the CuI atoms of which are further coordinated by four molecules of acetonitrile. The CuI atom has an overall distorted tetrahedral coordination environment evidenced by L-Cu-L angles (L ...
Crystal structure of di-[mu]-iodido-bis[(dimethyl sulfoxide-[kappa]O)(triphenylphosphane-[kappa]P)copper(I)]
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2010
The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated CuI atoms are bridged by two [mu]2-iodido ligands in an almost symmetrical ...
Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]
Dataset
Disciplines :
crystallography
materials science, multidisciplinary
Collected date : 2019
The polymeric title compound, [Cu2Br2(C4H8S)2]n, CP1, represents an example of a two-dimensional coordination polymer resulting from reaction of CuBr with tetrahydrothiophene (THT) in MeCN solution. The two-dimensional layers consist of two different types of rhomboid-shaped dinuclear ...
Crystal structure of dicarbonyl[μ2-methylenebis(diphenylphosphane)-κ2P:P′][μ2-2-(2,4,5-trimethylphenyl)-3-...
Dataset
Disciplines :
crystallography
materials science, multidisciplinary
Collected date : 2017
The title compound, [FePt(C12H12O)(C18H15P)(C25H22P2)(CO)2]·2C7H8·CH2Cl2 or [(OC)2Fe(μ-dppm)(μ-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)], represents an example of a diphosphane-bridged heterobimetallic dimetallacyclopentenone complex resulting from a bimetallic activation of 1-ethynyl-2,4,5-trimethylbe ...
Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol
Dataset
Collected date : 2017
The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl ...
Crystal structure of {μ2-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ2C3:C1}dicarbonyl-1κ2C-[μ2-methylenebis(diphenylphosphane)-1:2κ2P:P′](triphenylphosphane-2κP)ironplatinum(Fe—Pt),...
Dataset
Disciplines :
crystallography
Collected date : from 2017 to 2020
The title compound, [FePt(C19H18OS2)(C18H15P)(C25H22P2)(CO)2], 1, [(OC)2Fe(μ-dppm)(μ-C(=O)C(CH2SC6H4Me-4)=CCH2SC6H4Me-4)Pt(PPh3)], represents the first example of a diphosphane-bridged heterobimetallic Fe—Pt dimetallacyclopentenone complex resulting from a bimetallic activation of ...
Crystal structures of 9-[bis(benzylsulfanyl)methyl]anthracene and of cyclo-dodecakis(μ2-phenylmethanethiolato-κ2S:S)hexapalladium(6 Pd—Pd)–anthracene-9,10-dione (1/1)
Dataset
Collected date : 2018
The first title compound, C29H24S2, L1, represents an example of an anthracene-based functionalized dithioether, which may be useful as a potential chelating or terminal ligand for coordination chemistry. This dithioacetal L1 crystallizes in the monoclinic space group P21/c. The phenyl rings of ...
Synthesis of Tris(arylphosphite)-ligated Cobalt(0) Complexes [Co2(CO)6{P(OAr)3}2], and their Reactivity towards Phenylacetylene and Diphenylacetylene
The dinuclear complexes [Co2(CO)6{P(OAr)3}2] (1a, Ar = Ph; 1b, Ar = o-Tol) were prepared and reacted with PhC≡CH and PhC≡CPh to yield dimetallatetrahedranes [{(ArO)3P}(OC)2Co-Co(μ-RC≡CPh)(CO)2{P(OAr)3}] (3a, Ar = Ph, R = H; 3b, Ar = o-Tol, R = H; 3c, Ar = Ph, R = Ph; 3d, Ar = o-Tol, R = Ph). The ...
Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]
Dataset
Disciplines :
crystallography
materials science, multidisciplinary
Collected date : 2017
Keywords :
copper salt
crystal structure
The polymeric title compound, [Cu2(C2H3N)2(C3H6S2)2](PF6)2, represents an example of a one-dimensional coordination polymer resulting from the reaction of [Cu(MeCN)4][PF6] with 1,3-dithiolane. The cationic one-dimensional ribbon consists of two copper(I) centers each ligated by one acetonitrile ...
Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer
A new coordination polymer (CP) defined as [Cu2Cl2(EtS(CH2)4SEt)4]n (CP2) was prepared by reacting EtS(CH2)4SEt with CuCl in acetonitrile in a 1 : 2 stoichiometric ratio. The X-ray structure reveals formation of non-porous 3D material composed of parallel 2D-[Cu2Cl2S2]n layers of Cl-bridged ...
Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2017
The title compound [Pt(NH3)4]Cl2 (1), prepared by reaction of (NH4)2[PtCl4] with an excess of NH3 in aqueous solution, was crystallized from water and its structure redetermined by single-crystal X-ray diffraction at four different temperatures in the range from 273 K down to 100 K. 1 is composed of ...
Heterodinuclear Diphosphane-Bridged Iron–Platinum Diyne Complexes as Metalloligands for the Assembly of Polymetallic Systems (Fe, Pt, Co)
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : from 2012 to 2018
Treatment of [(OC)3Fe(μ-C=O)(µ-dppm)Pt(PPh3)] (1a) (dppm=Ph2PCH2PPh2) with 1,7-octadiyne affords the isomeric dimetallacyclopentenones [(OC)2Fe(µ-dppm)(µ-C(=O)C{(CH2)4C≡CH}=CH)Pt(PPh3)] (2a) and [(OC)2Fe(µ-dppm)(µ-C(=O)C(H)=C{(CH2)4C≡CH})Pt(PPh3)] (2a′). In a similar manner, the reaction with ...
Crystal structure of tricarbonyl([mu]-diphenylphosphido-[kappa]2P:P)(methyldiphenylsilyl-[kappa]Si)bis(triphenylphosphane-[kappa]P)iron(II)platinum(0)(Fe-Pt)
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : 2014
The title compound, [FePt(C12H10P)(C13H13Si)(C18H15P)2(CO)3]·0.5CH2Cl2, represents an example of a phosphido-bridged heterobimetallic silyl complex; these are interesting precursors for the coordination and activation of small unsaturated organic molecules. The [mu]2-PPh2 ligand spans the iron and ...
Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers
Dataset
Collected date : from 2010 to 2014
The CuX salts (X = I, Br) react with SR2 to form molecular clusters of the types [(R2S)4(Cu4I4)] and [(R2S)6(Cu8I8)] or to give 1D polymers and 2D metal−organic frameworks. The cluster nuclearity and connectivity as well as the dimensionality of these compounds depend on the steric demand of SR2, ...
Diethyl 2,2'-(1,4-phenylenedioxy)diacetate
In the title compound, C14H18O6, a crystallographic center at the centroid of the aromatic ring generates the complete molecule which is planar within 0.085 (1) Å for the non-H atoms. In the crystal, weak C—H⋯O and C—H⋯π interactions link the molecules.
Bis{(4-methylthio)phenylthio}methane as assembling ligand for the construction of Cu(I) and Hg(II) coordination polymers. Crystal structures and topological (AIM) analysis of the bonding
Dataset
Collected date : 2015
The novel 1D coordination polymer (CP) [{Cu(μ2-Br)2Cu}(μ-L2)2] CP2 has been obtained by reaction of the tetrakisthioether p-MeSC6H4SCH2SC6H4SMe-p (L2) with CuBr in a 1:2 metal-to ligand ratio. In contrast to the previously described CP [{Cu(μ2-Br)2Cu}(μ-L1)2] CP1 obtained by reaction of the ...
2-(2,2-Dibromoethenyl)thiophene
Dataset
Disciplines :
chemistry, inorganic & nuclear
crystallography
Collected date : from 2008 to 2009
The title compound, C6H4Br2S, represents a versatile building block for the preparation of [pi]-conjugated redox-active thienyl oligomers and metal-mediated cross-coupling reactions. This is due to the presence of an electrochemically active thienyl heterocycle and a reactive dibromovinyl ...
4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane
In the title compound, C20H16Br4, both vinylic substituents were introduced by a Corey-Fuchs reaction using 4,12-diformyl[2.2]paracyclophane as starting material. The title compound may be used as a valuable precursor for the synthesis of diethynyl[2.2]paracyclophane. The title molecule is ...
4,4-Bis(4-methylphenylsulfanyl)-1,1-diphenyl-2-azabuta-1,3-diene
In the title compound, C29H25NS2, both the Cl atoms of the azadiene precursor 4,4-dichloro-1,1-diphenyl-2-azabuta-1,3-diene are replaced by two vicinal S-p-tolyl substituents attached to the terminal C atom of a [pi]-conjugated 2-azabutadiene array. The azadiene chain is planar to within 0.01 Å. ...
(2,2-Dichlorovinyl)ferrocene
The title compound, [Fe(C5H5)(C7H5Cl2)], represents a versatile building block for the preparation of [pi]-conjugated redox-active compounds or polymetallic organometallic systems due to the presence of the electrochemically active ferrocenyl unit. It is therefore a potential starting material for ...