ida

Joe Wicks 'is at the centre of a £5 MILLION bidding war with Nike and Adidas'

The 33-year-old, is reportedly in the centre of a '£5 million bidding war' between sports brands Nike and Adidas who are both keen to sponsor the star following the success of his online classes.




ida

Inter Milan 'determined to sign Vidal from Barcelona but will demand Martinez is left out of deal'

Antonio Conte is thought to be desperate to reunite with the midfielder after failing to sign him last summer and in the January window earlier this season.




ida

Capri Global Capital consolidated net profit declines 28.36% in the March 2020 quarter

Sales rise 7.66% to Rs 172.38 crore




ida

Sheridan Smith gives birth to first child

Actor Sheridan Smith has welcomed her first child with fiance, insurance broker Jamie Horn. "The Royle Family" star shared a picture of their baby boy clutching onto her finger on Instagram on Saturday. "Our little man has arrived! We are both completely overwhelmed with love," Smith, 38, captioned the picture. No other details about the child have been revealed. Smith, also known for starring in sitcoms "Two Pints of Lager and a Packet of Crisps" and drama series "Cilla" about the life of English singer Cilla Black, announced her pregnancy last October.




ida

After slamming door on Air India crews, Noida Authority takes back order

After slamming door on Air India crews, Noida Authority takes back order





ida

Noida: Asymptomatic man tests positive, dies hours later




ida

Noida: To allow domestic staff or not? RWAs start online vote




ida

Chidanand Rajghatta: Rise of the other N-word

In an increasingly globalized world, words like territory and identity seem anachronistic. Yet the march of nationalism continues across the world. Sunday Times decodes the strange pull of identity politics




ida

6 more test coronavirus positive in Faridabad, 3 containment zones added




ida

China trying to consolidate position in Tibet by highlighting Mt. Everest on Tibetan side, says expert

As per experts, Nepal and China had signed a border dispute resolution agreement in 1960 according to which it was decided that Mount Everest will be divided, and southern part of it will belong to Nepal and Northern part to Tibet Autonomous Region which China claims as its own.




ida

35 Indians Repatriated From Singapore Quarantined at 4-star Hotel in Greater Noida

The administration said it has appointed officers to inspect the facilities being provided to the repatriated Indians, who were stuck abroad due to the coronavirus-induced lockdown, and address their concerns, if any.




ida

Covid-19: Mumbai Police ASI Who Died on Friday Tests Positive

He died in the early hours of Friday after being admitted in a civic hospital on Wednesday with Covid-19-like symptoms, an official said.




ida

വരും തലമുറ കാറുകൾക്ക് LIDAR സാങ്കേതികവിദ്യ അവതരിപ്പിക്കാനൊരുങ്ങി വോൾവോ

ലോകത്തിലെ ഏറ്റവും സുരക്ഷിതമായ കാറുകൾ നിർമ്മിക്കുന്നതിൽ വളരെയധികം അറിയപ്പെടുന്ന നിർമ്മാതാക്കളാണ് വോൾവോ. ലുമിനാറുമായി പങ്കാളികളാകുമെന്നും തങ്ങളുടെ വരും തലമുറയിലെ എല്ലാ കാറുകളിലും LIDAR സാങ്കേതികവിദ്യ (ലൈറ്റ് ഡിറ്റക്ഷൻ, റേഞ്ചിംഗ്) ഘടിപ്പിക്കുമെന്നും കമ്പനി അറിയിച്ചു.




ida

Morse, sounder, téléphone: description, fonctionnement et installation des appareils télégraphiques, recherche des dérangements, généralités sur la téléphonie à l'usage des candidats rédacteu

Archives, Room Use Only - TK5261.N38 1928




ida

Telephone directories / by R.B. Green and D.J. Halliday

Archives, Room Use Only - TK6169.G74 1939




ida

Rules and regulations for the guidance of the officers and servants employed in the Telegraph Department, and also of such officers and servants in the Traffic Department as are required to possess a knowledge of, or to assist those working the telegraph

Archives, Room Use Only - TK5263.R85 1878




ida

Atmospheric tidal waves maintain Venus' super-rotation




ida

Council polls: Congress announces 2nd candidate

With the Congress announcing a second candidate, contest is likely for nine seats of Maharashtra legislative council for which chief minister Uddhav Thackeray is among those in the fray.




ida

China trying to consolidate position in Tibet by highlighting Mt. Everest on Tibetan side, says expert

As per experts, Nepal and China had signed a border dispute resolution agreement in 1960 according to which it was decided that Mount Everest will be divided, and southern part of it will belong to Nepal and Northern part to Tibet Autonomous Region which China claims as its own.




ida

Priyanka offers prayers at Ravidas temple in Varanasi

Speaking at a function in Varanasi on the occasion of Ravidas Jayanti, she urged the audience to take the teachings of the saint to the masses. "He (Sant Ravidas) had dreamt of a society, where there is no discrimination and where every person is respected. You all should take forward his teachings to the masses, especially at a time, when there is so much violence and hatred in the society. His teachings are need of the hour," Priyanka Gandhi said.




ida

Work resumes in Greater Noida’s Oppo mobile factory

Work resumes in Greater Noida’s Oppo mobile factory




ida

53 new COVID-19 cases, 1 death in Indore on Friday




ida

Noida man who died of cardiorespiratory arrest tested positive for COVID-19




ida

Follow govt protocol before sending Noida-resident Vande Bharat Mission crew here: Gautam Buddh Nagar admin requests Air India




ida

5 hospitals selected to conduct WHO's Solidarity COVID-19 clinical trial




ida

JKSRTC bus carrying migrant workers, students leave from Chandigarh on Friday




ida

Pune confirms 111 new COVID-19 cases, 9 deaths on Friday




ida

Paradise Papers: The moral dilemmas of tax avoidance

Mohan Guruswamy

The tranche of documents uncovered recently has not only brought several stalwarts of Indian politics, cinema industry, and business tycoons under scanner but has also thrown up pertinent questions over the moral dilemmas of avoiding tax

The paradise in the Paradise Papers refers to tax havens of low or even no taxation. Such havens usually are shadowy and sleazy little countries and principalities such as the Cayman Islands, Lichtenstein and Monaco, and sometimes entities within countries like Jersey, Guernsey, Bermuda in the UK and Delaware and Puerto Rico in the USA. Then there are low taxation countries like Switzerland, Singapore and Dubai that assure secretive rich people of their privacy. 

Essentially a tax haven exists to cheat sovereign states of their lawful incomes. The Tax Justice Network campaign group estimates that corporate tax avoidance costs governments $500bn a year, while personal tax avoidance costs $200bn a year. This in effect means that anywhere between $20-30 trillion of business transactions are sheltered from taxations. Moody’s estimated that in 2016 giant American technology companies such as Google, Microsoft and Apple were hoarding about $1.84 trillion cash in offshore havens. Clearly they are avoiding tax and as bending the rules of the tax system is not illegal unlike tax evasion; they are operating within the letter, but perhaps not the spirit, of the law.

In the early 1980’s, shaken up by the number of scandals in Wall Street, and by the number of its MBA graduates who were found wanting in ethical and moral values, the Harvard Business School made a course on “Leadership and Corporate Accountability” a core requirement. I am sure Jayant Sinha, a Harvard MBA, had to do this course and would have scored a high grade in it. Such courses now are in the core curriculum of the business schools attended by the other two young politicians also named in the Paradise Papers or capers if you will. Sachin Pilot graduated from the famous Wharton School of Business and Karti Chidambaram took his business masters from Texas and a law degree from Cambridge to boot.

Doing the required ethics course is one thing but it is quite something else to be able to resolve moral dilemmas of what John Kenneth Galbraith described as the “HBS’s ethical view of capitalism which derives straight out of the Protestant ethic and its transformational view of money, in which the ability to accumulate wealth is a reflection of one’s character.”

The charge against Jayant Sinha is that while acting as an Omidyar Network representative was on the board of a California company that made a loan to that company’s Cayman subsidiary. Usually such a loan to such a subsidiary suggests a fiddle. Whether Sinha knew this or did not know it is something else? Clearly the evidence does not suggest any malfeasance. But clearly there is room for skepticism. 

Omidyar Network proclaims its belief: “Just as eBay created the opportunity for millions of people to start their own businesses, we believe market forces can be a potent driver for positive social change.” Grand words but that hardly conceals the true goal that is to make bucks, sometimes fast ones too.  Again as Galbraith put it: “The modern conservative is engaged in one of man’s oldest exercises in moral philosophy; that is, the search for a superior moral justification for selfishness.”

Jayant, then fresh out of one of the IIT’s, worked with me way back in the mid 1980’s on a paper that proposed the mass construction of smokeless challahs for rural homes as a profitable employment for hundreds of thousands of rural workers. I remember it as a bit of an elaborate scheme that also computed the savings due to improved health results. It was published in this newspaper and the then Prime Minister Rajiv Gandhi took note of it. I was impressed enough to write a recommendation when he applied for a Masters in Energy Management at Pennsylvania. 

I next met him when I was serving as his fathers Advisor in the Finance Ministry. Jayant and his wife were both working with foreign companies investing in Indian stocks. He was apprehensive about a proposal made by me to disinvest PSU stocks by selling them to the governments banks for onward restructure and disinvestment. The minister had clearly spoken to him. At that time too I wondered if the HBS’s core business ethics course would have seen conflict of interest issues in it? The minister however had plenty of flex in him.

To my mind tax avoidance is just as reprehensible as tax evasion. Sinha was too junior in the Finance Ministry to have expressed views on this. It would have been unlikely though for that is not the HBS way. The previous Finance Minister, himself a Harvard MBA, would not have any left footprints for young Sinha to tread on. Neither would the present lawyer Finance Minister. 

 

Lead Image: 




ida

Maharashtra: Congress announces 2nd candidate, contest likely for council polls

Maharashtra: Congress announces 2nd candidate, contest likely for council polls




ida

Punjab cancels holidays, leaves of staff engaged in managing COVID-19




ida

2 BJP, lone Cong candidate file papers for 3 RS seats




ida

IDA Bollaram civic vice-chief arrested in sex racket

His friend, organiser too booked; three women rescued




ida

Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays

To investigate the effect of high-energy X-rays on site-specific radiation-damage, low-dose diffraction data were collected from radiation-sensitive crystals of the metal enzyme cytochrome c oxidase. Data were collected at the Structural Biology I beamline (BL41XU) at SPring-8, using 30 keV X-rays and a highly sensitive pixel array detector equipped with a cadmium telluride sensor. The experimental setup of continuous sample translation using multiple crystals allowed the average diffraction weighted dose per data set to be reduced to 58 kGy, and the resulting data revealed a ligand structure featuring an identical bond length to that in the damage-free structure determined using an X-ray free-electron laser. However, precise analysis of the residual density around the ligand structure refined with the synchrotron data showed the possibility of a small level of specific damage, which might have resulted from the accumulated dose of 58 kGy per data set. Further investigation of the photon-energy dependence of specific damage, as assessed by variations in UV-vis absorption spectra, was conducted using an on-line spectrometer at various energies ranging from 10 to 30 keV. No evidence was found for specific radiation damage being energy dependent.




ida

Crystal structure of bis­(1-ethyl-1H-imidazole-κN3)(meso-tetra­mesitylporphyrinato-κ4N,N',N'',N''')iron(III) perchlorate chloro­benzene sesquisolvate

In the complex cation of title compound, [Fe(C56H52N4)(C5H8N2)2]ClO4·1.5C6H5Cl, the ironIII atom is coordinated in a distorted octa­hedral manner by four pyrrole N atoms of the porphyrin ring system in the equatorial plane, and by two N atoms of the 1-ethyl­imidazole ligands in the axial sites. A disordered perchlorate anion and one and a half chloro­benzene solvent mol­ecules are also present. The cationic complex exhibits a highly ruffled porphyrin core. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.988 (5), and the axial Fe—NIm (NIm is an imidazole N atom) bond lengths are 1.962 (3) and 1.976 (3) Å. The two 1-ethyl­imidazole ligands are inclined to each other by a dihedral angle of 68.62 (16)°. The dihedral angles between the 1-ethyl­imidazole planes and the planes of the closest Fe—Np vector are 28.52 (18) and 43.57 (13)°. Inter­molecular C—H⋯Cl inter­actions are observed.




ida

Di­bromido­[N-(1-di­ethyl­amino-1-oxo-3-phenyl­propan-2-yl)-N'-(pyridin-2-yl)imidazol-2-yl­idene]palladium(II) di­chloro­methane monosolvate

In the mol­ecule of the title N,N'-disubstituted imidazol-2-yl­idene palladium(II) complex, [PdBr2(C21H24N4O)]·CH2Cl2, the palladium(II) atom adopts a slightly distorted square-planar coordination (r.m.s. deviation = 0.0145 Å), and the five-membered chelate ring is almost planar [maximum displacement = 0.015 (8) Å]. The mol­ecular conformation is enforced by intra­molecular C—H⋯Br hydrogen bonds. In the crystal, complex mol­ecules and di­chloro­methane mol­ecules are linked into a three-dimensional network by C—H⋯O and C—H⋯Br hydrogen bonds.




ida

Di-μ-acetato-bis­{[3-benzyl-1-(2,4,6-tri­methyl­phen­yl)imidazol-2-ylidene]silver(I)}

The title compound, [Ag2(C2H3O2)2(C19H20N2)2] (2), was readily synthesized by treatment of 3-benzyl-1-(2,4,6-tri­methyl­phen­yl)imidazolium chloride with silver acetate. The solution structure of the complex was analyzed by NMR spectroscopy, while the solid-state structure was confirmed by single-crystal X-ray diffraction studies. Compound 2 crystallizes in the triclinic space group Poverline{1}, with a silver-to-carbene bond length (Ag—CNHC) of 2.084 (3) Å. The mol­ecule resides on an inversion center, so that only half of the mol­ecule is crystallographically unique. The planes defined by the two imidazole rings are parallel to each other, but not coplanar [inter­planar distance is 0.662 (19) Å]. The dihedral angles between the imidazole ring and the benzyl and mesityl rings are 77.87 (12) and 72.86 (11)°, respectively. The crystal structure features π–π stacking inter­actions between the benzylic groups of inversion-related (−x + 1, −y + 1, −z + 1) mol­ecules and C—H⋯π inter­actions.




ida

1,1',3,3'-Tetra­mesitylquinobis(imidazole)-2,2'-di­thione

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the mol­ecule crystallizes in a highly symmetric cubic space group so that one quarter of the mol­ecule is crystallographically unique, the mol­ecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent mol­ecules to the scattering was removed using a solvent mask and is not included in the reported mol­ecular weight. No classical hydrogen bonds are observed between the main mol­ecules.




ida

1-Isobutyl-8,9-dimeth­oxy-3-phenyl-5,6-dihidro­imidazo[5,1-a]isoquinolin-2-ium chloride

The molecular salt, C23H26N2O2+·Cl−, was obtained from 1-isobutyl-8,9-dimeth­oxy-3-phenyl-5,6-di­hydro­imidazo[5,1-a]iso­quinoline, which was synthesized by cyclo­condensation of α-benzoyl­amino-γ-methyl-N-[2-(3,4-di­meth­oxy­phen­yl)eth­yl]valeramide in the presence of phosphoryl chloride. The tetra­hydro­pyridine ring adopts a twist–boat conformation. In the crystal structure, centrosymmetric dimers are formed by N—H⋯Cl and C—H⋯Cl hydrogen bonds.




ida

N-(tert-But­yl)-2-(2-nitro­phen­yl)imidazo[1,2-a]pyridin-3-amine

In the title compound, C17H18N4O2, the dihedral angle between the pyridine and benzene rings is 55.68 (11)°. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into [010] chains.




ida

Poly[1-ethyl-3-methyl­imidazolium [tri-μ-iso­thio­cyanato-manganate(II)]]

The title compound, {(C9H11N2)[Mn(NCS)3]}n, has been obtained as a side product of the salt metathesis reaction of 1-ethyl-3-methyl­imidazolium bromide, (EMIm)Br, and K2[Mn(NCS)4]. The structure consists of discrete 1-ethyl-3-methyl­imidazolium cations and an anionic two-dimensional network of manganese(II)-based complex anions, inter­connected by thio­cyanate ions. Every Mn2+ ion is coordinated by three S atoms of three NCS− ions and three N atoms of further three NCS− ions in a meridional octa­hedral fashion.




ida

2-[4,5-Bis(4-bromo­phen­yl)-1-(4-tert-but­ylphen­yl)-1H-imidazol-2-yl]-4,6-di­chloro­phenol

In the title compound, C31H24Br2Cl2N2O, the dihedral angles subtended by the tert-butyl-phenyl, 4,6-di­chloro­phenol and 4-bromo­phenyl (×2) rings are 70.7 (3), 8.1 (3), 28.1 (3) and 84.2 (3)°, respectively. The orientations of the pendant rings may be related to intra­molecular O—H⋯N and C—H⋯π inter­actions. One of the tert-butyl methyl groups is disordered over two sets of sites in a 0.54 (3):0.46 (3) ratio. In the crystal, a weak C—H⋯π inter­action generates inversion dimers.




ida

4-Chloro-2-[1-(4-ethyl­phen­yl)-4,5-diphenyl-1H-imidazol-2-yl]phenol

In the title compound, C29H23ClN2O, the 5-chloro­phenol ring and the imidazole ring are nearly coplanar, with a dihedral angle of 15.76 (9)° between them. The ethyl­phenyl ring and the two phenyl rings subtend angles of 71.09 (7), 43.95 (5) and 36.53 (9)°, respectively, with the imidazole plane. An intra­molecular O—H⋯N hydrogen bond supports the mol­ecular conformation, and an inter­molecular C—H⋯O inter­action, originating from an ortho-phenyl H atom, stabilizes the packing arrangement. In addition, a weak C—H⋯π inter­action, also involving an ortho-phenyl H atom, is observed.




ida

Di­chlorido­bis­[2-(pyridin-2-yl-κN)-1H-benzimidazole-κN3]nickel(II) monohydrate

In the title complex, [NiCl2(C12H9N3)2]·H2O, a divalent nickel atom is coordinated by two 2-(pyridin-2-yl)-1H-benzimidazole ligands in a slightly distorted octa­hedral environment defined by four N donors of two N,N'-chelating ligands, along with two cis-oriented anionic chloride donors. The title complex crystallized with a water mol­ecule disordered over two positions. In the crystal, a combination of O—H⋯Cl, O—H.·O and N—H⋯Cl hydrogen bonds, together with C—H⋯O, C—H⋯Cl and C—H⋯π inter­actions, links the complex mol­ecules and the water mol­ecules to form a supra­molecular three-dimensional framework. The title complex is isostructural with the cobalt(II) dichloride complex reported previously [Das et al. (2011). Org. Biomol. Chem. 9, 7097–7107].




ida

Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate

In the title compound, C16H21N3O4, the 1,4-di­hydro­pyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H⋯O and N—H⋯N hydrogen bonds with graph-set notation R22(14) connect the mol­ecules into chains running along the c-axis direction.




ida

Bis(N-adamantyl-N'-ethyl­imidazolium) tetra­bromido­manganate(II)

The title compound, (C15H23N2)2[MnBr4], comprises two N-adamantyl-N'-ethyl­imidazolium cations and one tetra­hedral [MnBr4]2− anion. Next to Coulombic inter­actions, weak hydrogen bonds of the type C—H⋯Br consolidate the crystal packing, building up a three-dimensional network.




ida

Tris(1H-benzimidazol-2-ylmeth­yl)amine methanol tris­olvate

The structure of the tertiary amine tris­(1H-benzimidazol-2-ylmeth­yl)amine (C24H21N7, abbreviated ntb) has been previously reported twice as solvates, namely the monohydrate and the aceto­nitrile–methanol–water (1/0.5/1.5) solvate, both with the tripodal conformation formed via multiple hydrogen bonds. Now, we report the tri­methanol adduct, ntb·3CH3OH, where the amine has the stair conformation featuring one benzimidazole group oriented in the opposite direction from the other two. The asymmetric unit contains one-half amine, completed through the mirror plane m in space group Pmn21 to form the ntb mol­ecule, with the H atom for each imidazole moiety equally disordered between both N sites available in the imidazole ring. The asymmetric unit also contains one and a half methanol mol­ecules, one being placed in general position with the hy­droxy H atom disordered over two sites with occupancy ratio 1:1, while the other lies on the m mirror plane, and has thus its hy­droxy H atom disordered by symmetry. As in the previously reported solvates, all imine and amine groups of the ntb mol­ecules and the methanol mol­ecules are involved in N—H⋯O and O—H⋯N hydrogen bonds. In the title compound, however, the involved H atom is systematically a disordered H atom provided by an imidazole group or a methanol mol­ecule.




ida

Bis(3-methyl-1-propyl-1H-imidazol-3-ium) bis­(4,6-disulfanidyl-4,6-disulfanyl­idene-1,2,3,5,4,6-tetra­thia­diphosphinane-κ3S2,S4,S6)nickel

The title salt, (PMIM)2[Ni(P2S8)2] (PMIM = 3-methyl-1-propyl-1H-imidazol-3-ium, C7H13N2+), consists of a nickel–thio­phosphate anion charge-balanced by a pair of crystallographically independent PMIM cations. It crystallizes in the monoclinic space group P21/n. The structure exhibits the known [Ni(P2S8)2]2− anion with two unique imidazolium cations in the asymmetric unit. Whereas one PMIM cation is well ordered, the other is disordered over two orientations with refined occupancies of 0.798 (2) and 0.202 (2). The salt was prepared directly from the elements in the ionic liquid [PMIM]CF3SO3. Whereas one of the PMIM cations is well behaved (it does not exhibit disorder even in the propyl side chain), the other is found in two overlapping positions. The refined occupancies for the two orientations are roughly 80:20. Here, too, there appears to be little disorder in the propyl arm.




ida

Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d]imidazol-2-yl)phen­oxy]phthalo­nitrile dimethyl sulfoxide monosolvate

This work presents the synthesis and structural characterization of [4-(1H-benzo[d]imidazol-2-yl)phen­oxy]phthalo­nitrile, a phthalo­nitrile derivative carrying a benzimidazole moiety. The compound crystallizes as its dimethyl sulfoxide monosolvate, C21H12N4O·(CH3)2SO. The dihedral angle between the two fused rings in the heterocyclic ring system is 2.11 (1)°, while the phenyl ring attached to the imidazole moiety is inclined by 20.7 (1)° to the latter. In the crystal structure, adjacent mol­ecules are connected by pairs of weak inter­molecular C—H⋯N hydrogen bonds into inversion dimers. N—H⋯O and C—H⋯O hydrogen bonds with R21(7) graph-set motifs are also formed between the organic mol­ecule and the disordered dimethyl sulfoxide solvent [occupancy ratio of 0.623 (5):0.377 (5) for the two sites of the sulfur atom]. Hirshfeld surface analysis and fingerprint plots were used to investigate the inter­molecular inter­actions in the crystalline state.




ida

Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chloro­benz­yl)-6-oxo-3-phenyl-1,6-di­hydro­pyridazin-1-yl]acetate

The title pyridazinone derivative, C21H19ClN2O3, is not planar. The unsubstituted phenyl ring and the pyridazine ring are inclined to each other, making a dihedral angle of 17.41 (13)° whereas the Cl-substituted phenyl ring is nearly orthogonal to the pyridazine ring [88.19 (13)°]. In the crystal, C—H⋯O hydrogen bonds generate dimers with R22(10) and R22(24) ring motifs which are linked by C—H⋯O inter­actions, forming chains extending parallel to the c-axis direction. The inter­molecular inter­actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H⋯H (44.5%), C⋯H/H⋯C (18.5%), H⋯O/H⋯O (15.6%), Cl⋯H/H⋯Cl (10.6%) and C⋯C (2.8%) contacts.




ida

Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 5,5-diphenyl-1,3-bis­(prop-2-yn-1-yl)imidazolidine-2,4-dione

The title compound, C21H16N2O2, consists of an imidazolidine unit linked to two phenyl rings and two prop-2-yn-1-yl moieties. The imidazolidine ring is oriented at dihedral angles of 79.10 (5) and 82.61 (5)° with respect to the phenyl rings, while the dihedral angle between the two phenyl rings is 62.06 (5)°. In the crystal, inter­molecular C—HProp⋯OImdzln (Prop = prop-2-yn-1-yl and Imdzln = imidazolidine) hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. Two weak C—HPhen⋯π inter­actions are also observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (43.3%), H⋯C/C⋯H (37.8%) and H⋯O/O⋯H (18.0%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Computational chemistry indicates that the C—HProp⋯OImdzln hydrogen-bond energy in the crystal is −40.7 kJ mol−1. Density functional theory (DFT) optimized structures at the B3LYP/6–311G(d,p) level are compared with the experimentally determined mol­ecular structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.