Crystallography

Translations : crystallography ; cristallographie

Domain : chemistry

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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

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). ...

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Control of Structures and Emission Properties of (CuI)n 2-Methyldithiane Coordination Polymers

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. ...

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A Fused Poly(truncated rhombic dodecahedron)-Containing 3D Coordination Polymer: A Multifunctional Material with Exceptional Properties

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, ...

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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 ...

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Crystal structure of di-[mu]-iodido-bis­[(dimethyl sulfoxide-[kappa]O)(tri­phenyl­phosphane-[kappa]P)copper(I)]

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 ...

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Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis­(μ-tetra­hydro­thiophene)­dicopper(I)]

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 ...

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Crystal structure of dicarbon­yl[μ2-methyl­enebis(di­phenyl­phosphane)-κ2P:P′][μ2-2-(2,4,5-tri­methyl­phen­yl)-3-...

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 ...

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Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol

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 ...

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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),...

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 ...

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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)

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 ...

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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 ...

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Crystal structure of the coordination polymer catena-poly[[[(acetonitrile-κN)copper(I)]-μ3-1,3-dithiolane -κ3S:S:S'] hexafluoridophosphate]

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 ...

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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 ...

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Redetermination of the crystal structure of tetrammineplatinum(II) dichloride – A microporous hydrogen-bonded 3D network exhibiting a temperature-dependent order-disorder phase transition

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 ...

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Heterodinuclear Diphosphane-Bridged Iron–Platinum Diyne Complexes as Metalloligands for the Assembly of Polymetallic Systems (Fe, Pt, Co)

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 ...

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Crystal structure of tricarbon­yl([mu]-di­phenyl­phosphido-[kappa]2P:P)(methyl­diphenyl­silyl-[kappa]Si)bis(tri­phenyl­phosphane-[kappa]P)iron(II)platinum(0)(Fe-Pt)

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 ...

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Reactivity of CuI and CuBr toward Dialkyl Sulfides RSR: From Discrete Molecular Cu4I4S4 and Cu8I8S6 Clusters to Luminescent Copper(I) Coordination Polymers

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, ...

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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.

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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

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 ...

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2-(2,2-Dibromo­ethen­yl)thio­phene

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 ...

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4,12-Bis(2,2-dibromo­vinyl)[2.2]paracyclo­phane

Dataset
Disciplines : crystallography
Collected date : from 2008 to 2009

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 ...

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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. ...

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(2,2-Dichloro­vinyl)ferrocene

Dataset
Disciplines : crystallography
Collected date : from 2008 to 2009

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 ...

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Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile

The title compound, C12H10Br2N2O2, represents an example of a planar π-con­jugated 2-aza­butadiene mol­ecule, which is both an inter­esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol­ecular parameters are ...

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Two-dimensional polymeric [Hg4([mu]2-I)6I2([mu]2-C4S6)]n

The title compound, poly[([mu]2-2H,5H-1,3-dithiolo[4,5-d][1,3]di­thiole-2,5-dithione)hexa-[mu]2-iodido-diiodidotetra­mercury(II)], [Hg4I8(C4S6)]n, represents the first example of a coordination polymer assembled by the [alpha],[alpha]-C4S6 dithione ligand. The HgII ions are four-coordinated in a ...

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