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OECD welcomes measures adopted by Spain to advance integrity

The OECD welcomed the legislative package on democratic regeneration recently approved by the Spanish Parliament in order to fight corruption and promote both integrity and transparency in political activities and institutions.




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OECD Secretary-General Angel Gurría welcomes Brazil’s commitment to improving education and playing greater role in PISA Programme

OECD Secretary-General Angel Gurría today welcomed Brazil’s further engagement with the Organisation’s world-leading global education assessment programme (PISA) during a signing ceremony in Brasilia with Brazil’s Minister for Education Aloízio Mercadante.




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Canada Welcomes the Teaching Profession (OECD Education Today Blog)

by J. Alan McIsaac (Vice-Chair, Council of Ministers of Education, Canada (CMEC), Minister, Education and Early Childhood Development, Prince Edward Island)




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Do labour markets welcome shorter tertiary degrees? (OECD Education Today Blog)

At the turn of this century, two different models of higher education programmes prevailed in the world.




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Sydney Airport worker is gouged in the eye by a FALCON that was living in a Qantas plane hangar

A worker at the Sydney Airport almost lost an eye after a peregrine falcon gouged at his eyes while he was completing duties inside of a Qantas engineering hangar.




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Primarc Tirumala Projects Llp vs Banke Behari Realcon Pvt Ltd And ... on 19 March, 2020

Appearance:

Mr. Snehashis Sen, Adv.

...for the petitioner.

The Court : At the instance of the petitioner the matter is appearing today under the heading "To Be Mentioned" for correction of a typographical error crept in the order dated March 11, 2020. By the said order this Court disposed of the application, AP No.49 of 2020.

Let the amount of money mentioned in the third line at the fourth page of the said order dated March 11, 2020 be corrected as Rs.9.8 crore in place and stead of Rs.9.2 crore.




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Pilcom vs C.I.T West Bengal-Vii on 29 April, 2020

Civil Appeal No.5749 OF 2012

1. This appeal by special leave challenges the Judgment and Order dated 11.11.2010 passed by the High Court1 dismissing Income Tax Appeal No.196 of 2000 and thereby affirming the view taken by the Tribunal 2 in I.T.A.Nos. 110/Cal/1999 and 402/Cal/1999 on 04.01.2000.

1 The High Court of Judicature at Calcuttta 2 Income Tax Appellate Tribunal, Calcutta Civil Appeal No. 5749 of 2012 etc. PILCOM vs. C.I.T. West Bengal-VII 2

2. The facts leading to the filing of the proceedings before the Tribunal were set out in the Order dated 04.01.2000 as under:-




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'His path to redemption is long... very long': Neymar warned by PSG fans he won't be welcomed back

Paris Saint-Germain's ultras have warned Neymar they are not prepared to give him a warm welcome as he prepares to return to the French side's starting line-up.




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Jasmine Yarbrough celebrates her first Mother's Day as a mum after welcoming Harper May

She welcomed daughter Harper May with husband Karl Stefanovic on May 1.




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Calcutta HC steps in against corporal punishment


A division bench passed a series of orders last month while hearing a public interest litigation alleging that the West Bengal government had failed to enforce the ban against violence on children in schools. Shoma Chatterji reports.




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RCom, Aircel announce merger; create fourth largest telco in India

​Reliance Communications and Aircel will hold 50% stake each in the new combined entity, which will be listed later. Both companies will also transfer debt of Rs 14,000 crore each. As for the net worth of the new company, it’ll be around Rs 35,000 crore.​




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Shah Rukh Khan Asks Fans To Make And Send Scary Films; ‘Ghosts Are Welcome To Submit’

Shah Rukh Khan has decided to promote his upcoming production, Betaal, in a fun way. The Badshah of Bollywood is asking fans to channel their inner filmmakers during the lockdown and shoot scary films at home. He announced that winners of




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Shah Rukh Khan Asks Fans To Make And Send Scary Films; ‘Ghosts Are Welcome To Submit’

Shah Rukh Khan has decided to promote his upcoming production, Betaal, in a fun way. The Badshah of Bollywood is asking fans to channel their inner filmmakers during the lockdown and shoot scary films at home. He announced that winners of




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Wheelchair powered without hands debuts at CES

Intel and Hoobox Robotics have teamed up to create the Wheelie 7 that responds to facial expressions. Dan Fastenberg reports.




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COVID-19 Lockdown: 9 Ways To Manage Alcohol Withdrawal Symptoms

After the lockdown was declared across the country, doctors have seen a sudden surge in patients facing alcohol withdrawal symptoms. The reason being the closing of liquor shops. In certain parts of the country, there has been a sudden increase in




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Taliban wants positive relationship with India, welcomes New Delhi's contribution in Afghanistan

We would like to have positive relations with neighbouring countries including India, said Taliban's spokesperson.




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The theory of the submarine telegraph and telephone cable / by H. W. Malcolm

Archives, Room Use Only - TK5621.M35 1917




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Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00335B, Paper
Muhammad Naeem Ahmed, Khawaja Ansar Yasin, Shahid Aziz, Saba Urooge Khan, Muhammad Nawaz Tahir, Diego Mauricio Gil, Antonio Frontera
We report the synthesis and X-ray characterization of four triazole derivatives that include an α-ketoester functionality and two phenyl substituents. The compounds form self-assembled dimers in the solid state establishing two symmetrically equivalent O⋯π-hole interactions.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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People more likely to opt for non-alcoholic drinks if availability greater




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Falcons' Allen says idea of practice is 'nerve-racking'

Ricardo Allen didn't budge when Georgia was one of the first states to open businesses during the coronavirus pandemic. The Atlanta Falcons safety believes it is smart to stay home. The NFL has set protocols for reopening team facilities and has made a 2020 season seem more real by releasing schedules this week.







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Delhi violence toll up to 42, some signs of normalcy

Nearly 7,000 paramilitary forces have been deployed in the affected areas of the northeast district since Monday.




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Showing their balcony spirit: Hope during COVID-19

From dancing to playing musical instruments to exercising... balconies across the world have become the hospot as people continue to quarantine and self-isolate themselves at homes to fight against the coronavirus pandemic.





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Taliban wants positive relationship with India, welcomes New Delhi's c...

Taliban wants positive relationship with India, welcomes New Delhi's c...




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Karnataka: Bar owners welcome state govt move to allow pubs, bars , restaurants to sell liquor




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KMC Mayor to act as caretaker Board of Administrator for four weeks: Calcutta HC




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LNC appreciates LCTC's efforts

LNC appreciates LCTC's efforts




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Only 20 people can attend funeral, but 1000 can gather near alcohol shops: Sanjay Raut




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Welcome indicator: Only 2% of Covid-19 beds occupied in Karnataka | Bengaluru News - Times of India

Welcome indicator: Only 2% of Covid-19 beds occupied in Karnataka | Bengaluru News - Times of India




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Badal welcomes Farooq's release




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Parkash Badal welcomes Farooq Abdullah's release from detention




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Spoke to Farooq Abdullah, welcome him back: Punjab CM




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Man murdered in Gummidipoondi over alcohol

Munusamy, 26, was reportedly murdered in Gummidipoondi on Friday, by his neighbour Sanjay after a fight broke out between them, since the former refus




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Congress picks two for MLC polls

In a surprising turn of events on Saturday, the Congress announced two candidates for the May 21 Legislative Council polls, indicating that it is in n




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The competition between dehydrogenation and dehydration reactions for primary and secondary alcohols over gallia: unravelling the effects of molecular and electronic structure via a two-pronged theoretical/experimental approach

Catal. Sci. Technol., 2020, Advance Article
DOI: 10.1039/C9CY02603G, Paper
Lorella Izzo, Tommaso Tabanelli, Fabrizio Cavani, Paola Blair Vàsquez, Carlo Lucarelli, Massimo Mella
The relative dehydrogenation/dehydration reactivity imparted by nanostructured gallium(III) oxide on alcohols was investigated via electronic structure calculations, reactivity tests and DRIFT-IR spectroscopy.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry





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Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN–H, K)[Co(NCS)4]·2H2O

The title compound, d-(+)-glucosa­mmonium potassium tetra­thio­cyanato­cobaltate(II) dihydrate, K(C6H14NO5)[Co(NCS)4]·2H2O or (GlcNH)(K)[Co(NCS)4]·2H2O, has been obtained as a side product of an incomplete salt metathesis reaction of d-(+)-glucosa­mine hydro­chloride (GlcN·HCl) and K2[Co(NCS)4]. The asymmetric unit contains a d-(+)-glucos­ammonium cation, a potassium cation, a tetra­iso­thio­cyanato­cobalt(II) complex anion and two water mol­ecules. The water mol­ecules coordinate to the potassium cation, which is further coordinated via three short K+⋯SCN− contacts involving three [Co(NCS)4]2− complex anions and via three O atoms of two d-(+)-glucosa­mmonium cations, leading to an overall eightfold coordination around the potassium cation. Hydrogen-bonding inter­actions between the building blocks consolidate the three-dimensional arrangement.




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Crystal structure and Hirshfeld surface analysis of a conformationally unsymmetrical bis­chalcone: (1E,4E)-1,5-bis­(4-bromo­phen­yl)penta-1,4-dien-3-one

In the title bis­chalcone, C17H12Br2O, the olefinic double bonds are almost coplanar with their attached 4-bromo­phenyl rings [torsion angles = −10.2 (4) and −6.2 (4)°], while the carbonyl double bond is in an s-trans conformation with with respect to one of the C=C bonds and an s-cis conformation with respect to the other [C=C—C=O = 160.7 (3) and −15.2 (4)°, respectively]. The dihedral angle between the 4-bromo­phenyl rings is 51.56 (2)°. In the crystal, mol­ecules are linked into a zigzag chain propagating along [001] by weak C—H⋯π inter­actions. The conformations of related bis­chalcones are surveyed and a Hirshfeld surface analysis is used to investigate and qu­antify the inter­molecular contacts.




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Some chalcones derived from thio­phene-3-carbaldehyde: synthesis and crystal structures

The synthesis, spectroscopic data and crystal and mol­ecular structures of four 3-(3-phenyl­prop-1-ene-3-one-1-yl)thio­phene derivatives, namely 1-(4-hydroxy­phen­yl)-3-(thio­phen-3-yl)prop-1-en-3-one, C13H10O2S, (1), 1-(4-meth­oxy­phen­yl)-3-(thio­phen-3-yl)prop-1-en-3-one, C14H12O2S, (2), 1-(4-eth­oxy­phen­yl)-3-(thio­phen-3-yl)prop-1-en-3-one, C15H14O2S, (3), and 1-(4-­bromophen­yl)-3-(thio­phen-3-yl)prop-1-en-3-one, C13H9BrOS, (4), are described. The four chalcones have been synthesized by reaction of thio­phene-3-carbaldehyde with an aceto­phenone derivative in an absolute ethanol solution containing potassium hydroxide, and differ in the substituent at the para position of the phenyl ring: –OH for 1, –OCH3 for 2, –OCH2CH3 for 3 and –Br for 4. The thio­phene ring in 4 was found to be disordered over two orientations with occupancies 0.702 (4) and 0.298 (4). The configuration about the C=C bond is E. The thio­phene and phenyl rings are inclined by 4.73 (12) for 1, 12.36 (11) for 2, 17.44 (11) for 3 and 46.1 (6) and 48.6 (6)° for 4, indicating that the –OH derivative is almost planar and the –Br derivative deviates the most from planarity. However, the substituent has no real influence on the bond distances in the α,β-unsaturated carbonyl moiety. The mol­ecular packing of 1 features chain formation in the a-axis direction by O—H⋯O contacts. In the case of 2 and 3, the packing is characterized by dimer formation through C—H⋯O inter­actions. In addition, C—H⋯π(thio­phene) inter­actions in 2 and C—H⋯S(thio­phene) inter­actions in 3 contribute to the three-dimensional architecture. The presence of C—H⋯π(thio­phene) contacts in the crystal of 4 results in chain formation in the c-axis direction. The Hirshfeld surface analysis shows that for all four derivatives, the highest contribution to surface contacts arises from contacts in which H atoms are involved.




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Synthesis and crystal structure of calcium hydrogen phosphite, CaHPO3

The hydro­thermal synthesis and crystal structure of the simple inorganic compound CaHPO3, which crystallizes in the chiral space group P43212, are reported. The structure is built up from distorted CaO7 capped trigonal prisms and HPO3 pseudo pyramids, which share corners and edges to generate a three-dimensional network.




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5-Methyl-1,3-phenyl­ene bis­[5-(di­methyl­amino)­naphthalene-1-sulfonate]: crystal structure and DFT calculations

The title compound, C31H30N2S2O6, possesses crystallographically imposed twofold symmetry with the two C atoms of the central benzene ring and the C atom of its methyl substituent lying on the twofold rotation axis. The two dansyl groups are twisted away from the plane of methyl­phenyl bridging unit in opposite directions. The three-dimensional arrangement in the crystal is mainly stabilized by weak hydrogen bonds between the sulfonyl oxygen atoms and the hydrogen atoms from the N-methyl groups. Stacking of the dansyl group is not observed. From the DFT calculations, the HOMO–LUMO energy gap was found to be 2.99 eV and indicates n→π* and π→π* transitions within the mol­ecule.




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Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromo­phen­yl)imidazo[1,2-a]pyridine

The title imidazo[1,2-a] pyridine derivative, C13H8Br2N2, was synthesized via a single-step reaction method. The title mol­ecule is planar, showing a dihedral angle of 0.62 (17)° between the phenyl and the imidazo[1,2-a] pyridine rings. An intra­molecular C—H⋯N hydrogen bond with an S(5) ring motif is present. In the crystal, a short H⋯H contact links adjacent mol­ecules into inversion-related dimers. The dimers are linked in turn by weak C—H⋯π and slipped π–π stacking inter­actions, forming layers parallel to (110). The layers are connected into a three-dimensional network by short Br⋯H contacts. Two-dimensional fingerprint plots and three-dimensional Hirshfeld surface analysis of the inter­molecular contacts reveal that the most important contributions for the crystal packing are from H⋯Br/Br⋯H (26.1%), H⋯H (21.7%), H⋯C/C⋯H (21.3%) and C⋯C (6.5%) inter­actions. Energy framework calculations suggest that the contacts formed between mol­ecules are largely dispersive in nature. Analysis of HOMO–LUMO energies from a DFT calculation reveals the pure π character of the aromatic rings with the highest electron density on the phenyl ring, and σ character of the electron density on the Br atoms. The HOMO–LUMO gap was found to be 4.343 eV.




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Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitro­benzyl­idene)amino]-2(R,S)-(4-nitro­phenyl)-5(S)-(propan-2-yl)imidazolidin-4-one

A 1:1 epimeric mixture of 3-[(4-nitro­benzyl­idene)amino]-2(R,S)-(4-nitro­phen­yl)-5(S)-(propan-2-yl)imidazolidin-4-one, C19H19N5O5, was isolated from a reaction mixture of 2(S)-amino-3-methyl-1-oxo­butane­hydrazine and 4-nitro­benz­alde­hyde in ethanol. The product was derived from an initial reaction of 2(S)-amino-3-methyl-1-oxo­butane­hydrazine at its hydrazine group to provide a 4-nitro­benzyl­idene derivative, followed by a cyclization reaction with another mol­ecule of 4-nitro­benzaldehyde to form the chiral five-membered imidazolidin-4-one ring. The formation of the five-membered imidazolidin-4-one ring occurred with retention of the configuration at the 5-position, but with racemization at the 2-position. In the crystal, N—H⋯O(nitro) hydrogen bonds, weak C—H⋯O(carbon­yl) and C—H⋯O(nitro) hydrogen bonds, as well as C—H⋯π, N—H⋯π and π–π inter­actions, are present. These combine to generate a three-dimensional array. Hirshfeld surface analysis and PIXEL calculations are also reported.




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Conversion of di­aryl­chalcones into 4,5-di­hydro­pyrazole-1-carbo­thio­amides: mol­ecular and supra­molecular structures of two precursors and three products

Chalcones of type 4-XC6H4C(O)CH=CHC6H4(OCH2CCH)-4, where X = Cl, Br or MeO, have been converted to the corresponding 4,5-di­hydro­pyrazole-1-carbo­thio­amides using a cyclo­condensation reaction with thio­semicarbazide. The chalcones 1-(4-chloro­phen­yl)-3-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one, C18H13ClO2, (I), and 1-(4-bromo­phen­yl)-3-[4-(prop-2-yn­yloxy)phen­yl]prop-2-en-1-one, C18H13BrO2, (II), are isomorphous, and their mol­ecules are linked into sheets by two independent C—H⋯π(arene) inter­actions, both involving the same aryl ring with one C—H donor approaching each face. In each of the products (RS)-3-(4-chloro­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C19H16ClN3OS, (IV), (RS)-3-(4-bromo­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C19H16BrN3OS, (V), and (RS)-3-(4-meth­oxy­phen­yl)-5-[4-(prop-2-yn­yloxy)phen­yl]-4,5-di­hydro­pyrazole-1-carbo­thio­amide, C20H19N3O2S, (VI), the reduced pyrazole ring adopts an envelope conformation with the C atom bearing the 4-prop-2-yn­yloxy)phenyl substituent, which occupies the axial site, displaced from the plane of the four ring atoms. Compounds (IV) and (V) are isomorphous and their mol­ecules are linked into chains of edge-fused rings by a combination of N—H⋯S and C—H⋯S hydrogen bonds. The mol­ecules of (VI) are linked into sheets by a combination of N—H⋯S, N—H⋯N and C—H⋯π(arene) hydrogen bonds. Comparisons are made with the structures of some related compounds.




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Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-di­hydro-8aH-carbazol-9-yl)phen­yl]-1-(4-nitro­phen­yl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen–Schmidt condensation reaction. CPNC crystallizes in the monoclinic non-centrosymmetric space group Cc and adopts an s-cis conformation with respect to the ethyl­enic double bonds (C=O and C=C). The crystal packing features C—H⋯O and C—H⋯π inter­actions whose percentage contribution was qu­anti­fied by Hirshfeld surface analysis. Quantum chemistry calculations including geometrical optimization and mol­ecular electrostatic potential (MEP) were analysed by density functional theory (DFT) with a B3LYP/6–311 G++(d,p) basis set.




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Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one and the keto–enol tautomer (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phe

The title crystal structure is assembled from the superposition of two mol­ecular structures, (E)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-2-en-1-one, C12H9ClOS2 (93%), and (Z)-1-(5-chloro­thio­phen-2-yl)-3-(3-methyl­thio­phen-2-yl)prop-1-en-1-ol, C12H11ClOS2 (7%), 0.93C12H9ClOS2·0.07C12H11ClOS2. Both were obtained from the reaction of 3-methyl­thio­phene-2-carbaldehyde and 1-(5-chloro­thio­phen-2-yl)ethanone. In the extended structure of the major chalcone component, mol­ecules are linked by a combination of C—H⋯O/S, Cl⋯Cl, Cl⋯π and π–π inter­actions, leading to a compact three-dimensional supra­molecular assembly.




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Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis­(4-fluoro­phen­yl)piperidin-4-one

The title compound, C21H23F2NO, consists of two fluoro­phenyl groups and one butyl group equatorially oriented on a piperidine ring, which adopts a chair conformation. The dihedral angle between the mean planes of the phenyl rings is 72.1 (1)°. In the crystal, N—H⋯O and weak C—H⋯F inter­actions, which form R22[14] motifs, link the mol­ecules into infinite C(6) chains propagating along [001]. A weak C—H⋯π inter­action is also observed. A Hirshfeld surface analysis of the crystal structure indicates that the most significant contributions to the crystal packing are from H⋯H (53.3%), H⋯C/C⋯H (19.1%), H⋯F/F⋯H (15.7%) and H⋯O/O⋯H (7.7%) contacts. Density functional theory geometry-optimized calculations were compared to the experimentally determined structure in the solid state and used to determine the HOMO–LUMO energy gap and compare it to the UV–vis experimental spectrum.