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(E)-{[(Butyl­sulfan­yl)methane­thio­yl]amino}(4-meth­oxy­benzyl­idene)amine: crystal structure and Hirshfeld surface analysis

The title hydrazine carbodi­thio­ate, C13H18N2OS2, is constructed about a central and almost planar C2N2S2 chromophore (r.m.s. deviation = 0.0263 Å); the terminal meth­oxy­benzene group is close to coplanar with this plane [dihedral angle = 3.92 (11)°]. The n-butyl group has an extended all-trans conformation [torsion angles S—Cm—Cm—Cm = −173.2 (3)° and Cm—Cm—Cm—Cme = 180.0 (4)°; m = methyl­ene and me = meth­yl]. The most prominent feature of the mol­ecular packing is the formation of centrosymmetric eight-membered {⋯HNCS}2 synthons, as a result of thio­amide-N—H⋯S(thio­amide) hydrogen bonds; these are linked via meth­oxy-C–H⋯π(meth­oxy­benzene) inter­actions to form a linear supra­molecular chain propagating along the a-axis direction. An analysis of the calculated Hirshfeld surfaces and two-dimensional fingerprint plots point to the significance of H⋯H (58.4%), S⋯H/H⋯S (17.1%), C⋯H/H⋯C (8.2%) and O⋯H/H⋯O (4.9%) contacts in the packing. The energies of the most significant inter­actions, i.e. the N—H⋯S and C—H⋯π inter­actions have their most significant contributions from electrostatic and dispersive components, respectively. The energies of two other identified close contacts at close to van der Waals distances, i.e. a thione–sulfur and meth­oxy­benzene–hydrogen contact (occurring within the chains along the a axis) and between methyl­ene-H atoms (occurring between chains to consolidate the three-dimensional architecture), are largely dispersive in nature.




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Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between N,N'-bis­(pyridin-4-ylmeth­yl)ethane­diamide and 4-chloro­benzoic acid

The asymmetric unit of the title 1:2 co-crystal, C14H14N4O2·2C7H5ClO2, comprises two half mol­ecules of oxalamide (4LH2), as each is disposed about a centre of inversion, and two mol­ecules of 4-chloro­benzoic acid (CBA), each in general positions. Each 4LH2 mol­ecule has a (+)anti­periplanar conformation with the pyridin-4-yl residues lying to either side of the central, planar C2N2O2 chromophore with the dihedral angles between the respective central core and the pyridyl rings being 68.65 (3) and 86.25 (3)°, respectively, representing the major difference between the independent 4LH2 mol­ecules. The anti conformation of the carbonyl groups enables the formation of intra­molecular amide-N—H⋯O(amide) hydrogen bonds, each completing an S(5) loop. The two independent CBA mol­ecules are similar and exhibit C6/CO2 dihedral angles of 8.06 (10) and 17.24 (8)°, indicating twisted conformations. In the crystal, two independent, three-mol­ecule aggregates are formed via carb­oxy­lic acid-O—H⋯N(pyrid­yl) hydrogen bonding. These are connected into a supra­molecular tape propagating parallel to [100] through amide-N—H⋯O(amide) hydrogen bonding between the independent aggregates and ten-membered {⋯HNC2O}2 synthons. The tapes assemble into a three-dimensional architecture through pyridyl- and methyl­ene-C—H⋯O(carbon­yl) and CBA-C—H⋯O(amide) inter­actions. As revealed by a more detailed analysis of the mol­ecular packing by calculating the Hirshfeld surfaces and computational chemistry, are the presence of attractive and dispersive Cl⋯C=O inter­actions which provide inter­action energies approximately one-quarter of those provided by the amide-N—H⋯O(amide) hydrogen bonding sustaining the supra­molecular tape.




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Crystal structure of a new phen­yl(morpholino)methane­thione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid

4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C12H13NO3S, a novel phen­yl(morpholino)methane­thione derivative, crystallizes in the monoclinic space group P21/n. The morpholine ring adopts a chair conformation and the carb­oxy­lic acid group is bent out slightly from the benzene ring mean plane. The mol­ecular geometry of the carb­oxy­lic group is characterized by similar C—O bond lengths [1.266 (2) and 1.268 (2) Å] as the carboxyl­ate H atom is disordered over two positions. This mol­ecular arrangement leads to the formation of dimers through strong and centrosymmetric low barrier O—H⋯O hydrogen bonds between the carb­oxy­lic groups. In addition to these inter­molecular inter­actions, the crystal packing consists of two different mol­ecular sheets with an angle between their mean planes of 64.4 (2)°. The cohesion between the different layers is ensured by C—H⋯S and C—H⋯O inter­actions.




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Crystal structures of {1,1,1-tris­[(salicylaldimino)­meth­yl]ethane}­gallium as both a pyridine solvate and an aceto­nitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)­meth­yl]ethane}­indium di­chloro­

The sexa­dentate ligand 1,1,1-tris­[(salicyl­idene­amino)­meth­yl]ethane has been reported numerous times in its triply deprotonated form coordinated to transition metals and lanthanides, yet it has been rarely employed with main-group elements, including in substituted forms. Its structures with gallium and indium are reported as solvates, namely, ({[(2,2-bis­{[(2-oxido­benzyl­idene)amino-κ2N,O]meth­yl}prop­yl)imino]­meth­yl}phenololato-κ2N,O)gallium(III) pyridine monosolvate, [Ga(C26H24N3O3)]·C5H5N, the aceto­nitrile 0.75-solvate, [Ga(C26H24N3O3)]·0.75C2H3N, and ({[(2,2-bis­{[(2-oxido­benzyl­idene)amino-κ2N,O]meth­yl}prop­yl)imino]­meth­yl}phenololato-κ2N,O)indium(III) di­chloro­methane monosolvate, [In(C26H24N3O3)]·CH2Cl2. All three metal complexes are pseudo-octa­hedral and each structure contains multiple weak C—H⋯O and/or C—H⋯N inter­molecular hydrogen-bonding inter­actions. The syntheses and additional characterization in the forms of melting points, high-resolution mass spectra, infra-red (IR) spectra, and 1H and 13C NMR spectra are also reported.




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Crystal structure of bis­(1-mesityl-1H-imidazole-κN3)di­phenyl­boron tri­fluoro­methane­sulfonate

The solid-state structure of bis­(1-mesityl-1H-imidazole-κN3)di­phenyl­boron tri­fluoro­methane­sulfonate, C36H38BN4+·CF3SO3− or (Ph2B(MesIm)2OTf), is reported. Bis(1-mesityl-1H-imidazole-κN3)di­phenyl­boron (Ph2B(MesIm)2+) is a bulky ligand that crystallizes in the ortho­rhom­bic space group Pbcn. The asymmetric unit contains one Ph2B(MesIm)2+ cationic ligand and one tri­fluoro­methane­sulfonate anion that balances the positive charge of the ligand. The tetra­hedral geometry around the boron center is distorted as a result of the steric bulk of the phenyl groups. Weak inter­actions, such as π–π stacking are present in the crystal structure.




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Killing of methane-producing megafauna may have caused cooling 13,000 years ago

New world megafauna such as mammoths, bison and camelids that were alive at the end of the Pleistocene epoch (some 13,000 years ago) would have produced massive amounts of methane-rich flatulence and belching, thanks to the cellulose-digesting microbes in their guts.

The post Killing of methane-producing megafauna may have caused cooling 13,000 years ago appeared first on Smithsonian Insider.




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Monitoring methane? Now there is a better way to measure

Now here is something to ruminate on. About 85 percent of the methane produced by a cow comes out of its mouth as burps. The […]

The post Monitoring methane? Now there is a better way to measure appeared first on Smithsonian Insider.




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Climate change conundrum: Invasive reed makes much more methane

Phragmites australis, the common reed, has been a component of North American marshes for thousands of years. However, a novel genetic lineage, Phragmites australis australis, […]

The post Climate change conundrum: Invasive reed makes much more methane appeared first on Smithsonian Insider.




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New Report Recommends a Nationwide Effort to Better Estimate Methane Emissions

The U.S. should take bold steps to improve measurement, monitoring, and inventories of methane emissions caused by human activities, says a new report from the National Academies of Sciences, Engineering, and Medicine.




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Arctic methane ‘leak’ could cause abrupt climate warming

For thousands of years, vast amounts of methane – a potent greenhouse gas – have been stored in frozen deposits on land and under the ocean in the Arctic. A new study has found that rapidly rising temperatures are accelerating the release of methane by thawing subsea ‘permafrost’, releasing nearly 8 million tonnes into the atmosphere each year and potentially increasing global warming.




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Alaskan ice retreat uncovers new methane seeps

Scientists have found that retreating glaciers and melting permafrost in Alaska are releasing up to 70% more methane – a potent greenhouse gas – than previously thought. If this estimate is true for the rest of the Arctic, this could have serious implications for global warming, say the scientists.




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Higher temperatures increase methane release from northern European peat bogs

Higher temperatures being brought about by global warming are increasing methane emissions from the extensive northern European peatlands, a recent study has found. The researchers also say that future estimations of greenhouse gas emissions can be improved via better land-cover classification — i.e. determining how much peatland is fenland or bogland.




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Methane emissions’ impact on climate larger than previously thought

Methane gas emissions could have a larger warming effect on climate than has been previously thought. A recent study has found that the interactions between greenhouse gas (GHG) emissions and aerosols in the atmosphere can change the impact of various emissions, and that mitigation policies should take these effects into account.




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Health and climate benefits by control of methane and black carbon

Measures to control methane and black carbon (soot) emissions could improve air quality and public health, in addition to slowing the rate of climate change, according to recent research. By 2030, the reduced pollution could prevent between 700,000 and 4.7 million premature deaths each year, with 80% of the benefits occurring in Asia.




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Human health benefits from reducing short-lived air pollutants and methane concentrations

A recent global study has estimated that, each year, 1.5 million people die early from cardiopulmonary diseases and 0.1 million people die early from lung cancer caused by exposure to PM2.5 pollution. A further 0.4 million people are estimated to die early from respiratory diseases caused by exposure to surface ozone (O3) pollution. Although short-lived air pollutants have the largest influence on air quality and premature deaths, controlling methane emissions as well would improve air quality and reduce the number of people dying prematurely each year, the study suggests.




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Individual non-methane VOCs have large impacts on human health

Emissions of non-methane volatile organic compounds (NMVOCs) can have damaging effects on human health. New research has now revealed that only three substances out of a large number of NMVOCs are responsible for almost all damaging effects on human health. Air pollution policies should be designed to target these substances specifically, rather than overall NMVOC emissions, the researchers recommend.




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Methane: satellite data may improve emissions estimates

Greenhouse gas (GHG) inventories are significantly underestimating methane emissions from a region in the southwest of the United States, and potentially elsewhere, a new study has found. The authors of the study suggest that satellite data could be used to identify and quantify new sources of methane, such as fracking.




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Methane emissions from LNG-powered ships higher than current marine fuel oils

Due to regulation on sulphur emissions, liquefied natural gas (LNG) has increased in use as a maritime fuel. This study measured exhaust gases from a ship with dual-fuel engines running on LNG and marine gas oil (MGO). Although NOX and CO2 emissions were lower for LNG compared to MGO, hydrocarbon and carbon monoxide emissions were higher. The authors say future work should reconsider the climate impact of LNG.




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Polyurethane-eating fungi discovered in Amazonian rainforest

Researchers have identified plant fungi in the Ecuadorian rainforest that can digest plastic. The discovery hints that there may be a wide range of effective waste-consuming microbes in existence, according to the study, which found that several different fungi, including one called Pestalotiopsis microspora, can break down the widely used plastic, polyurethane.




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Report: Methane from fracking has large greenhouse footprint

A group of researchers at Cornell University finds that natural gas may not be as clean as originally thought.




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Methane, ethane and propane found in drinking water near fracking sites

A new study finds that drinking water quality near Marcellus shale gas extraction sites could be compromised.




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Are abandoned oil and gas wells dumping methane into the atmosphere?

Researchers at Princeton recently studied the question of whether abandoned gas & oil well are leaking methane into the atmosphere.




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Tons of methane lurk beneath Antarctic ice

Microbes possibly feeding on the remains of an ancient forest may be generating billions of tons of methane deep beneath Antarctic ice, a new study suggests.



  • Wilderness & Resources

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N.Y. wells contain alarming amounts of methane

A new study shows that some wells in N.Y. contain large amounts of explosive methane and need to be monitored to prevent any detonation.



  • Wilderness & Resources

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6 surprising sources of methane

Most of the methane that humans emit comes from natural gas, landfills, coal mining and manure management, but methane is almost everywhere and it comes from so



  • Climate & Weather

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How much methane leaks out during fracking?

A new study claims it isn't as bad as estimated, at least during one part of the process. But how much methane does leak during fracking?




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Bacteria hitchhike on methane bubbles, keep greenhouses gas in check

Seafloor-dwelling bacteria may prevent methane from reaching the atmosphere by eating it up.



  • Wilderness & Resources

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Methane levels rising as funding cuts threaten monitoring network

U.S. federal budget woes are shrinking the monitoring network that tracks greenhouse gases such as methane.



  • Wilderness & Resources

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Why kangaroos emit less methane when they ... um ... you know, pass gas

Scientists have known this for a while now, but new research gives us more information about why kangaroos are so much more efficient than cows.



  • Climate & Weather

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Biggest U.S. methane source spotted from space

The gassy hotspot is centered over New Mexico's San Juan Basin, where some 40,000 wells suck out natural gas trapped in coal seams.



  • Climate & Weather

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What is methane and why should you care?

Methane is a natural substance that can be produced over time through biological routes. This colorless, odorless gas has huge potential as a fuel, but it also




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Thousands of bulging methane bubbles could explode in Siberia

Scientists estimate more than 7,000 dangerous methane 'bumps' have formed in Siberia's Yamal and Gydan peninsulas over the last couple of years.



  • Climate & Weather

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Methane-hunting satellite aims to expose industrial leaks

The Environmental Defense Fund is developing a satellite that will regularly monitor 50 major oil and gas regions for methane leaks.



  • Climate & Weather

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Plastic bags emit methane, too

Dr. Sarah-Jeanne Royer at the University of Hawai'i discovered that plastic bags are contributing to global warming by giving off methane.



  • Climate & Weather

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Flatulent cows cause methane explosion on German farm

Yes, you read that right.




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U.S. methane levels higher than thought

In large part to gas wells and cow farms, the United States is spewing 50 percent more methane than regulators thought.



  • Wilderness & Resources

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What does methane mean for life on Mars?

NASA's Curiosity rover has made a surprising find that could help scientists get one step closer to figuring out if Mars has ever supported life.




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Landfill methane could power 3 million homes

Advanced methane capture could make a significant dent in U.S. energy demand.



  • Research & Innovations

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Aqueous coating systems based on physically drying urethane acrylates

The invention relates to radiation curable coating systems on the basis of aqueous polyurethane dispersions, to a method for the production thereof, to the use of the coating systems as paints and/or adhesives, and to objects and substrates provided with said paints and/or adhesives.




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Solvent-based primer solution based on silylated polyurethane (SPUR) chemistry for polycarbonate substrates

A primer solution for enhanced adhesion to a rigid substrate for aviation and aerospace applications includes an aminosilane-capped polyurethane prepolymer and a first solvent. The first solvent reacts with or modifies the surface of the rigid substrate, enabling the primer solution including the aminosilane-capped polyurethane prepolymer to become a part of the surface of the rigid substrate.




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Hydroswellable, segmented, aliphatic polyurethanes and polyurethane ureas

Hydroswellable, absorbable and non-absorbable, aliphatic, segmented polyurethanes and polyurethane-urea capable of swelling in the biological environment with associated increase in volume of at least 3 percent have more than one type of segments, including those derived from polyethylene glycol and the molecular chains are structurally tailored to allow the use of corresponding formulations and medical devices as carriers for bioactive agents, rheological modifiers of cyanoacrylate-based tissue adhesives, as protective devices for repairing defective or diseased components of articulating joints and their cartilage, and scaffolds for cartilage tissue engineering.




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Method for producing pentafluoroethane

The present invention aims in a method wherein tetrachloroethylene (PCE) is reacted with HF in a gas phase in the presence of a catalyst to obtain pentafluoroethane (HFC-125), to reduce production of undesirable by-products and maintain a catalytic activity at a high level over a long period of time while achieving a high conversion ratio of PCE and suppressing deterioration of the catalyst. In a method for producing pentafluoroethane wherein tetrachloroethylene is reacted with HF in a gas phase in the presence of a catalyst to obtain pentafluoroethane, characterized in that chromium oxyfluoride is disposed in a reactor as the catalyst, and oxygen is fed into the reactor together with tetrachloroethylene and HF, at a amount of 0.4-1.8% by mole with respect to tetrachloroethylene.




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Catalytic gas phase fluorination of 1,1,2-trichloroethane and/or 1,2-dichloroethene to produce 1-chloro-2,2-difluoroethane

The invention is directed to a catalyst for the gas phase fluorination of 1,1,2-trichloroethane and/or 1,2-dichloroethene with HF to give 1-chloro-2,2-difluoroethane which catalyst is prepared by co-depositing FeCl3 and MgCl2 on chromia-alumina, or co-depositing Cr(NO3)3 and Ni(NO3)2 on active carbon, or by doping alumina with ZnCl2, and to a process for the preparation of 1-chloro-2,2-difluoroethane comprising a catalytic gas phase fluorination of 1,1,2-trichloroethane and/or 1,2-dichloroethene wherein one of the catalysts according to claim 2 or 3 is used.




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Process for separating chlorinated methanes

The present invention relates to a process for separating chlorinated methanes utilizing a dividing wall column. Processes and manufacturing assemblies for generating chlorinated methanes are also provided, as are processes for producing products utilizing the chlorinated methanes produced and/or separated utilizing the present process(es) and/or assemblies.




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Azeotropic or azeotrope-like composition, and method for producing 2,3,3,3-tetrafluoropropene or chloromethane

To provide a method for efficiently separating 2,3,3,3-tetrafluoropropene (HFO-1234yf) and chloromethane (R40) from a composition comprising HFO-1234yf and R40. An azeotrope-like composition comprising from 58 to 78 mol % of HFO-1234yf and from 22 to 42 mol % of R40, and a method for producing HFO-1234yf, which comprises steps of distilling an initial mixture containing HFO-1234yf in a content exceeding 63 mol % in the total amount of HFO-1234yf and R40, thereby to separate the initial mixture into a first fraction in which the content of HFO-1234yf in the total amount of HFO-1234yf and R40 is lower than the content of HFO-1234yf in the total amount of HFO-1234yf and R40 in the initial mixture, and a second fraction in which the content of HFO-1234yf in the total amount of HFO-1234yf and R40 is higher than the content of HFO-1234yf in the total amount of HFO-1234yf and R40 in the initial mixture, and then obtaining HFO-1234yf having a reduced R40 concentration, from the second fraction.




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Process for 1-chloro-3,3,3-trifluoropropene from trifluoromethane

The present invention provides routes for making 1-chloro-3,3,3-trifluoropropene (HCFO-1233zd) from commercially available raw materials. More specifically, this invention provides routes for HCFO-1233zd from inexpensive and commercially available trifluoromethane (HFC-23).




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Process for the in situ production of polyether polyols based on renewable materials and their use in the production of flexible polyurethane foams

A polyether polyol based on renewable materials is obtained by the in situ production of a polyether from a hydroxyl group-containing vegetable oil, at least one alkylene oxide and a low molecular weight polyol having at least 2 hydroxyl groups. The polyol is produced by introducing the hydroxyl group-containing vegetable oil, a catalyst and an alkylene oxide to a reactor and initiating the alkoxylation reaction. After the alkoxylation reaction has begun but before the reaction has been 20% completed, the low molecular weight polyol having at least 2 hydroxyl groups is continuously introduced into the reactor. After the in situ made polyether polyol product having the desired molecular weight has been formed, the in situ made polyether polyol is removed from the reactor. These polyether polyols are particularly suitable for the production of flexible polyurethane foams.




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Rinse-off compositions comprising lactoyl ethanolamine and a menthanecarboxamide compound

A rinse-off composition, such as a shampoo, hair conditioner or shower gel, comprising a rinse-off composition base, lactoyl ethanolamine and at least one compound selected from the group consisting of N-(4-cyanomethylphenyl) p-menthanecarboxamide and N-(2-pyridin-2-ylethyl) p-menthanecarboxamide. The compositions provide a pleasant, long-lasting cooling sensation.




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Diphenylmethane derivatives as SGLT2 inhibitors

A compound with a diphenylmethane moiety having an inhibitory activity against sodium-dependent glucose cotransporter 2 (SGLT2) being present in the intestine and kidney is disclosed. A pharmaceutical composition including the compound as an active ingredient, which is useful for preventing or treating metabolic disorders, particularly diabetes is disclosed. A method for preparing the compound, and a method for preventing or treating metabolic disorders, particularly diabetes, by using the compound is provided.




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Hydrophilic gels from polyurethane-based photoinitiators

The present invention relates to the use of polymeric photoinitiators based on polyalkyletherurethane backbones in the production of hydrophilic gels, in particular hydrogels. The invention relates to methods for manufacturing hydrophilic gels using said polymeric photoinitiators, and the hydrophilic gels thus obtained.