54 results

Lipid model membranes intended for all-atom molecular dynamics

Collected date : from 1 Oct 2015 to 30 Sep 2019
Creators : Timothée Rivel

The data are a series of lipid model membranes designed for the use in all-atoms Molecular dynamics simulations. They are lipid membranes modelling the composition of the lipid matrix of the plasma membrane of eukaryotes with a 5-component model involving phosphatidylcholine (PC), phosphatidylserine ...

Synthesis of Tris(arylphosphite)-ligated Cobalt(0) Complexes [Co2(CO)6{P(OAr)3}2], and their Reactivity towards Phenylacetylene and Diphenylacetylene

Disciplines : crystallography
Collected date : from 2018 to 2020

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]

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 ...

Three-Component Access to Functionalized Spiropyrrolidine Heterocyclic Scaffolds and Their Cholinesterase Inhibitory Activity

Disciplines : chemistry, organic
Collected date : from 2019 to 2020

A novel one-pot [3+2]-cycloaddition reaction of (E)-3-arylidene-1-phenyl-succinimides, cyclic 1,2-diketones (isatin, 5-chloro-isatin and acenaphtenequinone), and diverse α-aminoacids such as 2-phenylglycine or sarcosine is reported. The reaction provides succinimide-substituted dispiropyrrolidine ...

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 ...

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 ...

Sampling of Mediterranean fan mussel specimens (Pinna nobilis) for molecular analyses of the byssus and of the shell matrix

Collected date : from 8 May 2017 to 16 May 2017
Creators : Frédéric Marin

This document describes a field mission carried out in May 2017, at the Observatoire Océanologique de Villefranche-sur-Mer. This mission aimed at collecting live specimens as well as dead shells from the Mediterranean fan mussel, Pinna nobilis, an endemic species protected by European Directive ...

3-spiroindolizines containing an isoindole ring through intra-molecular arylation of spiro-N-acyliminium species

Collected date : from Jan 2017 to Oct 2018

Based on N-acyliminium species, efficient approaches to spirocyclic systems connected by two different carbon centers to the isoindole ring have been developed. The imide reduction and the tandem oxidative cleavage of olefin/formyl-amide equilibration were at first selected as the key steps for ...

Adsorption of methanol on ice

Data of the Adsorption Isotherm of Methanol on Crystalline (Ih) Ice at 200 K, as Obtained from Grand Canonical Monte Carlo Simulations.

Pure liquid phase recovery in karstic medium

Collected date : from Mar 2017 ongoing

This project is about the study in 2D-cells of fractured media, contaminated by pure phase hydrocarbons. Cosidered systems are made of 3 non-miscible fluids (air, water and hydrocarbons), considering light and dense hydrocarbons. First, the fluids behavior and the distribution of contaminants were ...

Gourdans-Ain River-Chemical data

Collected date : from 21 Mar 1994 to 11 Dec 2012
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Gourdans

Planet-Ain River-Chemical data

Collected date : from 21 Mar 1994 to 11 Nov 2012
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Planet

Brotteaux-Ain river-Chemical data

Collected date : from 1994 to 2012
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Brotteaux

Port-Galland-Ain River-Chemical data

Collected date : from 16 Feb 1993 to 12 Nov 2012
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Port-Galland

Sous Bresse-Ain River-Chemical data

Collected date : from 16 Feb 1993 ongoing
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Sous Bresse

Puit-Novets-Ain River-Chemical data

Collected date : from 28 Apr 2003 to 9 Jan 2012
Creators : Gudrun Bornette

Water physico-chemical data of the cut-off channel called Puit-Novets

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 ...

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

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

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

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

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 ...

4,4-Bis(4-methyl­phenyl­sulfan­yl)-1,1-diphenyl-2-aza­buta-1,3-diene

Disciplines : crystallography
Collected date : 2007

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

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 ...

54 results

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Université de Bourgogne, Université de Franche-Comté, UTBM, AgroSup Dijon, ENSMM, BSB, Arts des Metiers