Top PDF Crystal structure and thermal properties of bis­­[μ 2 (meth­­oxy­carbonyl­hydrazinyl­­idene)acetato κ3N1,O:O]bis­­[di­aqua­(thio­cyanato κN)manganese(II)] tetra­hydrate

Crystal structure and thermal properties of bis­­[μ 2 (meth­­oxy­carbonyl­hydrazinyl­­idene)acetato κ3N1,O:O]bis­­[di­aqua­(thio­cyanato κN)manganese(II)] tetra­hydrate

Crystal structure and thermal properties of bis­­[μ 2 (meth­­oxy­carbonyl­hydrazinyl­­idene)acetato κ3N1,O:O]bis­­[di­aqua­(thio­cyanato κN)manganese(II)] tetra­hydrate

centrosymmetric dimer. Each dimeric unit consists of tridentate (O,O,N)- chelating Schiff bases with symmetry-maintained -O-bridged carboxylate anions, terminally bound thiocyanate anions, and ligated and solvated water molecules. The complex exhibits a distorted octahedron geometry and the centrosymmetric -O-bridged carboxylate anions connect the two manganese atoms to form an M 2 O 2 ring. In the crystal, the molecules are interlinked via

9 Read more

Crystal transition behavior and thermal properties of thermal-energy-storage copolymer materials with n behenyl side-chain

Crystal transition behavior and thermal properties of thermal-energy-storage copolymer materials with n behenyl side-chain

As discussed in the previous section, the comb-like copolymer with crystalline long n-alkane side-chain attached to main-chain skeleton packed into a layered structure. The side chains of comb- like MC(BeA-co-MMA) microcapsules were aligned perpendicularly to the basal plane on crystal pattern according to XRD results. The crystal structure of MC(BeA-co-MMA) copolymer microcapsules with crystalline n-behenyl side-chain are shown in Figure 6. Their crystal transition behavior can be interpreted as follows. At a temperature above the melting point, the copolymer was in the isotropic phase. As the temperature going down, n-behenyl side chains arranged into crystal packing form semi-crystalline reaching a stable crystal pattern. Due to the restriction of the rigid copolymer skeleton, only the terminal parts of n-behenyl side-chain could pack into crystal. The increasing amount of BeA allowed methylene units of n-behenyl side-chain to arrange into crystal more freely, and contributed to a higher phase change enthalpy and crystallinity.
Show more

16 Read more

Synthesis, spectral, thermal, crystal structure, Hirschfeld analysis of [bis(triamine)Cadimium(II)][Cadimum(IV)tetra-bromide] complexes and their thermolysis to CdO nanoparticles

Synthesis, spectral, thermal, crystal structure, Hirschfeld analysis of [bis(triamine)Cadimium(II)][Cadimum(IV)tetra-bromide] complexes and their thermolysis to CdO nanoparticles

The UV–Vis absorption spectra of the complex 1 and complex 2 in water solvent presented one sharp domi- nant bands at 270 and 280  nm respectively, no other bands were detected elsewhere, as seen in Fig. 5. The cad- mium centers showed only the charge transfer transitions which can be assigned to charge transfer from the metal to ligand and vice versa (d—σ* electron transfer), no absorption resonated to π–π* electron transfer (dien and dipn ligands are saturated) or d–d transition are expected for d 10 Cd(II) complexes [30, 31].

11 Read more

Crystal structure of poly[bis­­(μ 2 bromo­pyrazine)­tetra μ2 cyanido dicopper(I)iron(II)]: a bimetallic metal organic framework

Crystal structure of poly[bis­­(μ 2 bromo­pyrazine)­tetra μ2 cyanido dicopper(I)iron(II)]: a bimetallic metal organic framework

symmetry-related bridging 2-bromopyrazine molecules in the axial positions and by four N atoms of pairs of symmetry-related cyanido groups in the equatorial positions. The Cu I center has a fourfold coordination environment [CuC 3 N], with an almost perfect trigonal–pyramidal geometry, formed by three

8 Read more

Crystal structure of tetra μ acetato bis­­[(5 amino 2 methyl­sulfanyl 1,3,4 thia­diazole κN1)copper(II)]

Crystal structure of tetra μ acetato bis­­[(5 amino 2 methyl­sulfanyl 1,3,4 thia­diazole κN1)copper(II)]

1,3,4-Thiadazoles are an important class of heterocycles and are of great interest because of their broad spectrum of biological activity. 1,3,4-Thiadiazole derivatives and their metal complexes have been shown to display antimicrobial (O ¨ nkol et al., 2008; Abdel-Wahab et al., 2009; Kadi et al., 2010), antituberculosis (Karakus¸s et al., 2002; Foroumadi et al., 2004), antioxidant (Chitale et al., 2011; Sunil et al., 2010; Khan et al., 2010), anticancer (Padmavathi et al., 2009; Kumar et al., 2010;) and antifungal (Matysiak et al., 2007; Klip et al., 2010; Verma et al., 2011; Zoumpoulakis et al., 2012) activities. In addition, some of the 1,3,4-thiadiazole-ring-containing ligands can be efficient uptake agents of toxic metal ions (Mincione et al., 1997). 1,3,4-Thiadiazoles also exhibit great potential as pesti- cides in the fields of herbicides, fungicides, insecticides and even as plant-growth regulators. Their diverse biological activity possibly arises from the presence of the NCS moiety in the molecule (Oruc¸ et al., 2004). An interesting feature of the metal–ligand chemistry of these compounds is that the complexes can be either mononuclear (Tzeng et al., 2004; Varna et al., 2018; Qiu et al., 2014) or binuclear (Deckert et al., 2016; Ardan et al., 2017). A search of the Cambridge Struc- tural Database (CSD Version 5.4, update of February 2019; Groom et al., 2016) revealed that although crystal structures have been reported for complexes of either 1,3,4-thiadiazole derivatives or OAc with a number of metal ions, including
Show more

8 Read more

Crystal structure, thermal and fluorescence properties of 2,2′:6′,2′′ terpyridine 1,1′,1′′ triium tetra­chlorido­nickelate(II) chloride

Crystal structure, thermal and fluorescence properties of 2,2′:6′,2′′ terpyridine 1,1′,1′′ triium tetra­chlorido­nickelate(II) chloride

N1 0.0412 (14) 0.0405 (14) 0.0434 (14) 0.0049 (11) 0.0040 (11) 0.0059 (11) N2 0.0329 (11) 0.0359 (12) 0.0329 (11) −0.0041 (9) 0.0023 (9) −0.0026 (10) N3 0.0373 (13) 0.0349 (13) 0.0394 (13) 0.0067 (10) 0.0029 (10) −0.0032 (10) C1 0.069 (3) 0.044 (2) 0.057 (2) 0.0067 (19) 0.014 (2) 0.0092 (17)

10 Read more

Crystal structure of μ oxido 1,1′κ2O:O bis­{tetra μ oxido 1:2κ2O:O;1:3κ2O:O;2:3κ4O:O tris­[1,2,3(η5) penta­methyl­cyclo­penta­dien­yl] trianglo trititanium(IV)}

Crystal structure of μ oxido 1,1′κ2O:O bis­{tetra μ oxido 1:2κ2O:O;1:3κ2O:O;2:3κ4O:O tris­[1,2,3(η5) penta­methyl­cyclo­penta­dien­yl] trianglo trititanium(IV)}

Data collection: COLLECT (Nonius, 1998); cell refinement: DIRAX/ LSQ (Duisenberg et al., 2000); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXT-2014 (Sheldrick, 2015a); program(s) used to refine struc- ture: SHELXL2014/7 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: WinGX (Farrugia, 2012) and publCIF (Westrip, 2010).

13 Read more

Crystal structure of meso di μ chlorido bis­­[bis­­(2,2′ bi­pyridine)­cadmium] bis­­(1,1,3,3 tetra­cyano 2 eth­oxy­propenide) 0 81 hydrate

Crystal structure of meso di μ chlorido bis­­[bis­­(2,2′ bi­pyridine)­cadmium] bis­­(1,1,3,3 tetra­cyano 2 eth­oxy­propenide) 0 81 hydrate

Within the cation, the Cd II atoms are six-coordinate with the two bridging chlorido ligands occupying mutually cis sites. The cis-bidentate coordination geometry at Cd means that this atom is a stereogenic centre and the reference Cd atom was selected as the one having the configuration. The inversion- related Cd atom within the binuclear cation thus has the configuration, so that the cation represents a meso form. Overall, the cation has approximate, but non-crystallographic 2/m (C 2h ) symmetry, with the twofold rotation axis along the

12 Read more

Crystal structure of bis­­[μ 1,4 bis­­(di­phenyl­phos­phan­yl)butane κ2P:P′]bis­­[(3,4,7,8 tetra­methyl 1,10 phenanthroline κ2N,N′)copper(I)] bis­­(hexa­fluorido­phosphate) di­chloro­methane disolvate

Crystal structure of bis­­[μ 1,4 bis­­(di­phenyl­phos­phan­yl)butane κ2P:P′]bis­­[(3,4,7,8 tetra­methyl 1,10 phenanthroline κ2N,N′)copper(I)] bis­­(hexa­fluorido­phosphate) di­chloro­methane disolvate

(Cunningham et al., 2000), have been reported. It is known that methyl substitution on the phenanthroline ligand often gives the essential effect on the photophysical properties of the copper complexes. Herein we describe the synthesis and crystal structure of a novel dinuclear copper(I) complex bearing tmp and dppb ligands. The title complex, [Cu 2 (tmp) 2 (dppb) 2 ](PF 6 ) 2 2CH 2 Cl 2 , was newly synthesized by

13 Read more

μ 2,3,5,6 Tetra 2 pyridylpyrazine bis­­[di­chloro­mercury(II)]

μ 2,3,5,6 Tetra 2 pyridylpyrazine bis­­[di­chloro­mercury(II)]

Since the synthesis of 2,3,5,6-tetra(2-pyridinyl)pyrazine (tppz) was reported by Goodwin & Lyons (1959), there have been a considerable number of investigations of transition metal complexes containing tppz, as these materials may possess desirable photophysical or magnetic properties. Hence, some mono- and dinuclear and oligomeric transition metal (e.g. Re, Ru, Ni, Cu, Zn and Pt) complexes with tppz have been structurally characterized (Graf & Stoeckli-Evans, 1994; Graf et al., 1997; Koman et al., 1998; Hartshorn et al., 1999; Sakai & Kurashima, 2003; Hadadzadeh et al., 2005). In addition, one-, two- and three-dimensional materials constructed from molybdophosphonate (Burkholder et al., 2003) and/or poly- oxomolybdate (Allis et al., 2004) subunits linked by binuclear Cu-tppz ligands have also been reported. In these complexes, tppz shows a variety of coordination modes; conformations and binding modes of tppz have been investigated recently by computational analysis (Padgett et al., 2005). Until now, no crystal structures of Hg II complexes of tppz have been docu- mented.
Show more

6 Read more

Crystal structures of isotypic poly[bis­­(benz­imid­azolium) [tetra μ iodido stannate(II)]] and poly[bis­­(5,6 di­fluoro­benzimidazolium) [tetra μ iodido stannate(II)]]

Crystal structures of isotypic poly[bis­­(benz­imid­azolium) [tetra μ iodido stannate(II)]] and poly[bis­­(5,6 di­fluoro­benzimidazolium) [tetra μ iodido stannate(II)]]

Compounds (1) and (2) are isostructural. Their asymmetric units, Figs. 1 and 2, consist of an Sn 2+ cation situated on a twofold rotation axis (Wyckoff position 4e), three iodine atoms [one in a general position, one on an inversion centre (4a) and one on a twofold rotation axis (4e)] and a benz- imidazolium or 5,6-difluorobenzimidazolium cation, respec- tively. The main building blocks of the structure are corner- sharing [SnI 6 ] octahedra, which form planar sheets with

11 Read more

Crystal Structure of A Novel Binuclear Cu (II) Schiff Base Complex: [Bis ((E) (2 
(dimethylamino)ethylimino)methyl)phenolato]bis[μ (acetato)]Copper(II)

Crystal Structure of A Novel Binuclear Cu (II) Schiff Base Complex: [Bis ((E) (2 (dimethylamino)ethylimino)methyl)phenolato]bis[μ (acetato)]Copper(II)

In the other hand recently, interest has grown in the chemistry of high nuclearity copper (II) complexes draw from their utility in the molecular design of magnetic material and models for the active sites of metallo enzymes [ 11-13]. Bridged dinuclear copper (II) complexes have been the subject of continuing interest for chemists because of their magneto-structural properties [14, 15]. The present study demonstrates a novel example of dinuclear copper (II) Schiff base complex with two tri dentate ligand and two acetate bridge. The molecular structure of the title molecule is illustrated in Fig. 1. It is a novel binuclear Schiff base copper (II) complex, with the Cu(II) ion having a N 2 O 2 square pyramidal geometry.
Show more

6 Read more

Crystal structure of bis­­[tetra­kis­(tetra­hydro­furan κO)lithium] bis­[μ 2,2′,2′′ methanetriyltris(4,6 di tert butylphenolato) κ4O,O′:O′,O′′]­dimagnesiate

Crystal structure of bis­­[tetra­kis­(tetra­hydro­furan κO)lithium] bis­[μ 2,2′,2′′ methanetriyltris(4,6 di tert butylphenolato) κ4O,O′:O′,O′′]­dimagnesiate

Molecular structure of the title compound with displacement ellipsoids given at the 40% probability level. All of the hydrogen atoms are omitted for clarity. The non-labelled atoms of one of the two cations and the binuclear anion are generated by the symmetry operation x + 1, y + 2, Table 1

17 Read more

Crystal structure of poly[tetra μ cyanido ethanol­bis­(2 iodo­pyrazine)­digold(I)iron(II)]

Crystal structure of poly[tetra μ cyanido ethanol­bis­(2 iodo­pyrazine)­digold(I)iron(II)]

examples have been obtained for the modification of the original Hofmann clathrates, notably with di- or octacyano- metallates (Gural’skiy et al., 2016b; Wei et al., 2016). Another modification method is the use of different organic ligands; for example, the inclusion of a bidentate ligand such as pyrazine leads to the formation of a three-dimensional network (Niel et al., 2001). Here we report a new cyanide-based compound with general formula [Fe(Ipz) 2 (EtOH){Au(CN) 2 } 2 ] in which

9 Read more

Ultrasonic Investigation of Elastic Anomalies in Lithium Sodium Sulphate Hexahydrate Single Crystal

Ultrasonic Investigation of Elastic Anomalies in Lithium Sodium Sulphate Hexahydrate Single Crystal

An extensive study of the thermal properties of Lithium Sodium Sulphate Hexa hydrate (LSSW) single crystal, with Trigonal structure, has been carried out using ultrasonic Pulse Echo Overlap (PEO) technique, Differential Thermal Analysis (DTA) and Thermo Gravimetric Analysis (TGA). The temperature variation of elastic constants of LiNa 3 (SO 4 ) 2 ∙6H 2 O single crystal have been re-

8 Read more

Crystal structure of it meso di µ chlorido bis[bis(2,2′ bipyridine)cadmium] bis(1,1,3,3 tetracyano 2 ethoxypropenide) 0 81 hydrate

Crystal structure of it meso di µ chlorido bis[bis(2,2′ bipyridine)cadmium] bis(1,1,3,3 tetracyano 2 ethoxypropenide) 0 81 hydrate

Organic polynitrile ligands are versatile structural compo- nents, leading to many different architectures in zero, one, two or three dimensions, and incorporating most of the 3d trans- ition metals (Miyazaki et al., 2003; Yuste et al., 2009; Benmansour et al., 2010; Gaamoune et al., 2010; Setifi et al., 2013; Setifi, Setifi et al., 2014; Addala et al., 2015). The versa- tility of such ligands is based on two main properties: firstly, the ability to act as bridges, given the linear and rigid geometry of the cyano groups, and secondly, the possibility of combining these ligands with a wide variety of co-ligands, leading to an extensive variety of coordination modes. To take advantage of this behaviour, we have been using polynitrile anions in combination with other chelating or bridging neutral co- ligands to explore the structural and electronic characteristics of the resulting complexes, particularly with reference to molecular materials exhibiting interesting luminescent beha- viour.
Show more

12 Read more

Insights For Catalyst Design: A Systematic Investigation Of The Morphological Dependence Of Catalytic And Photocatalytic Activity For Nanostructured Titania

Insights For Catalyst Design: A Systematic Investigation Of The Morphological Dependence Of Catalytic And Photocatalytic Activity For Nanostructured Titania

Given the surface requirements for these competing coupling products, the similarities in butene yield between the two 18 nm morphologies leads us to conclude that McMurry coupling is likely not occurring on the planar (101) facets of the nanocrystals, but instead at the nanocrystal edges which are exposed in roughly equal proportion for these two similarly-sized crystallites. Note that these edges would be expected to contain a high proportion of adjacent undercoordinated Ti cations that are required for this reaction. This conclusion is supported by the fractional yield trends in Figure 3.4, which show that butene selectivity is lowest for the 25 nm bipyramids, which present both the highest fraction of exposed (101) facets and lowest ratio of edge to planar sites of the three bipyramidal samples used in this study. Conversely, the 10 nm bipyramids, which expose the highest ratio of adjacent undercoordinated edge sites to planar sites of the nanocrystal samples used in this study, demonstrate the highest selectivity toward butene. Figure 3.5 also shows that the platelets have a similar size-dependence for selectivity, with the 18 nm platelets displaying approximately 2.5-fold greater selectivity toward crotonaldehyde than the 14 nm platelets. A recent TPD study of the reaction of acetaldehyde on a A-TiO 2 (101) single
Show more

237 Read more

Mononuclear and Dinuclear Copper(II) Complexes Containing N, O and S Donor Ligands: Synthesis, Characterization, Crystal Structure Determination and Antimicrobial Activity of [Cu(phen)(tda)].2H2O and [(phen)2Cu(µ-tda)Cu(phen)](ClO4)2.1.5H2O

Mononuclear and Dinuclear Copper(II) Complexes Containing N, O and S Donor Ligands: Synthesis, Characterization, Crystal Structure Determination and Antimicrobial Activity of [Cu(phen)(tda)].2H2O and [(phen)2Cu(µ-tda)Cu(phen)](ClO4)2.1.5H2O

The X-ray diffraction measurements were made on a STOE IPDS-II diffractometer with graphite monochromated Mo-K α radiation. For 1, a blue needle crystal of 0.30 × 0.10 × 0.05 mm and for 2, a blue plate crystal of 0.45 × 0.35 × 0.15 mm were mounted on a glass fiber and used for data collection. Cell constants and an orientation matrix for data collection were obtained by least-squares refinement of the diffraction data from 6370 for 1 and 23117 for 2 unique reflections. Data were collected at 298(2) and 120(2) K t o a maximum 2θ value of 58.34° for 1 and 58.32° for 2 and in a series of ω scans in 1° oscillations and integrated using the Stoe X-AREA [34] software package. The numerical absorption coefficient, μ, for Mo-K α radiation is 1.647 mm -1
Show more

13 Read more

Crystal structure, thermal analysis and IR spectroscopic investigation of bis (N methyl anilinium) sulfate

Crystal structure, thermal analysis and IR spectroscopic investigation of bis (N methyl anilinium) sulfate

In this atomic arrangement, the two crystallographic in- dependent organic cations have no internal symmetry. The interatomic bond lengths and angles spread within the re- spective ranges: 1.366(4) - 1.484(3) Å and 113.31(15)˚ - 121.47(18). The mean length of the C-C bonds: 1.377 Å is lower than the one of C-N bonds:1.470 Å. The bond angles in the phenyl groups deviate significantly from the idealized value of 120˚. This is the effect of the sub- stituent. Domenicano and Murray-Rust have [20], among others, shown that the angular deformations of phenyl groups can be described as a sum of the effects of the different substituents. The benzenes rings are planar with a maximum deviation of 0.008(2) for (C1C2C3C4C5C6) Figure 2. IR spectrum of polycrystalline NMAS.
Show more

7 Read more

Crystal structure of benzyl 2 naphthyl ether, a sensitiser for thermal paper

Crystal structure of benzyl 2 naphthyl ether, a sensitiser for thermal paper

Thermal printing is a rapid and inexpensive printing tech- nology widely used in commercial applications such as receipts, faxes and tickets (Gregory, 1991; Mendum et al., 2011). Many structural reports are available for thermo- sensitive dyes and developers (Matsumoto et al., 2010; Kodama et al., 2013; Gontani et al., 2017; Ohashi et al., 2017). On the other hand, we found only one report on the crystal structure of a compound commonly used as a sensitiser for the thermosensitive layer (Rudolph et al., 2010), which can facil- itate the dye coloration process by lowering the melting point of the dye/developer composite on thermal paper (US EPA, 2014). The title compound, benzyl 2-naphthyl ether, 1, is known as another commonly used sensitiser. Herein, we report the crystal structure of 1 as fundamental data for the investigation of its influence on the solid-state physicochem- ical properties of the thermosensitive layer of the thermal paper.
Show more

9 Read more

Show all 10000 documents...

Related subjects