len Delhi cop among 4 killed in violent clashes over CAA By www.rediff.com Published On :: Tue, 25 Feb 2020 00:16:24 +0530 The violence-affected areas witnessed several rounds of stone-pelting from pro and anti-CAA protesters.At least 11 police personnel, including DCP Shahdara and ACP (Gokalpuri) were injured.2 CRPF personnel were also injured.All private and government schools in Northeast Delhi district will remain closed on Tuesday. Full Article ANI Photoo New Delhi IMAGE Assistant Commissioner of Police CAA Delhi Police ANI Photo Maujpur northeast Delhi Gokulpuri
len Delhi violence toll up to 42, some signs of normalcy By www.rediff.com Published On :: Fri, 28 Feb 2020 21:16:35 +0530 Nearly 7,000 paramilitary forces have been deployed in the affected areas of the northeast district since Monday. Full Article northeast Delhi PTI Photo Delhi health department IMAGE Arun
len Lok Sabha adjourned amid protests over Delhi violence By www.rediff.com Published On :: Fri, 06 Mar 2020 15:05:57 +0530 In between spells of adjournments, the House conducted business for a brief period and passed two Bills -- the Mineral Laws (Amendment) Bill and the Insolvency and Bankruptcy Code (Second Amendment) Bill - amid continuous protests by the Opposition. Full Article Lok Sabha House Congress Budget Session of Parliament PTI Photo Adhir Ranjan Chowdhury Bill northeast Delhi IMAGE Indian Union Muslim League Dravida Munnetra Kazagham Amit Shah Rahul Gandhi Rajendra Agarwal Om Birla Pralhad Joshi
len India goes silent on Day 2 of lockdown By www.rediff.com Published On :: Thu, 26 Mar 2020 15:04:33 +0530 The nation is on Day 2 of the 21-day lockdown to curb the spread of coronavirus.People buying essential supplies maintaining social distancing is now become a feature across the country. Full Article
len PIX: UK falls silent in honour of COVID-19 warriors By www.rediff.com Published On :: Tue, 28 Apr 2020 17:54:15 +0530 British Prime Minister Boris Johnson led the tributes with UK Chancellor Rishi Sunak at 10 Downing Street for the National Health Service (NHS) and other key workers across care homes and public transport at 11 am local time.So far 82 NHS staff are known to have died after testing positive for the coronavirus, including many with their roots in India. Full Article United Kingdom PHOTOS
len JNU releases tentative academic calendar for Monsoon session, set to return to classes by June 25 By www.newkerala.com Published On :: Sun, 10 May 2020 06:09:01 +0530 Full Article
len Delhi violence: Court rejects bail plea of Shahrukh Pathan By www.newkerala.com Published On :: Sun, 10 May 2020 09:03:02 +0530 Full Article
len MoooFarm wins Start-up India's Animal Husbandry Grand Challenge By www.newkerala.com Published On :: Sun, 10 May 2020 03:24:01 +0530 Full Article
len Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal–organic framework via single crystal electronic absorption spectroscopy By feeds.rsc.org Published On :: Chem. Sci., 2020, Advance ArticleDOI: 10.1039/D0SC01521K, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Patrick W. Doheny, Jack K. Clegg, Floriana Tuna, David Collison, Cameron J. Kepert, Deanna M. D'AlessandroGaining a fundamental understanding of charge transfer mechanisms in three-dimensional Metal–Organic Frameworks (MOFs) is crucial to the development of electroactive and conductive porous materials.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 Full Article
len Precipitation-free high-affinity multivalent binding by inline lectin ligands By feeds.rsc.org Published On :: Chem. Sci., 2020, Advance ArticleDOI: 10.1039/D0SC01744B, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Philipp Rohse, Sabrina Weickert, Malte Drescher, Valentin WittmannIntegration of sugar epitopes into a backbone structure generates multivalent lectin ligands with a defined binding mode and high affinity without precipitating the protein.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 Full Article
len TN moves SC challenging HC order to shut down liquor shops By www.newkerala.com Published On :: Sat, 09 May 2020 17:29:02 +0530 Full Article
len Tamil Nadu approaches SC challenging Madras HC order of closing liquor shops By www.newkerala.com Published On :: Sun, 10 May 2020 03:09:01 +0530 Full Article
len Ex-RBI Governor Rangarajan heads panel to look at TN fiscal challenges By www.newkerala.com Published On :: Sun, 10 May 2020 07:25:01 +0530 Full Article
len 'The main challenge is social distancing in slums' By www.rediff.com Published On :: 'When we talk about social distancing, it almost impossible to maintain this in slums.' Full Article
len JNU tentative academic calendar released for Monsoon session, set to return to classes by June 25 By Published On :: JNU tentative academic calendar released for Monsoon session, set to return to classes by June 25 Full Article
len Suresh Gopi lends voice with M-Town singers for ‘Kayangal Nooru’ song By Published On :: Suresh Gopi lends voice with M-Town singers for ‘Kayangal Nooru’ song Full Article
len Ahmedabad: 29 held for Shahpur violence By Published On :: Ahmedabad: 29 held for Shahpur violence Full Article
len Punjab may frame law to ban songs, movies glorifying drugs and violence: Minister By www.newkerala.com Published On :: Thu, 20 Feb 2020 14:28:01 +0530 Full Article
len Will not allow movies promoting violence: Punjab CM By www.newkerala.com Published On :: Tue, 25 Feb 2020 17:09:01 +0530 Full Article
len No movies promoting violence to be allowed in Punjab, says Capt Amarinder By www.newkerala.com Published On :: Wed, 26 Feb 2020 14:03:01 +0530 Full Article
len Minister raises Delhi violence issue in Punjab Assembly, says national capital is in state of turmoil By www.newkerala.com Published On :: Fri, 28 Feb 2020 13:42:02 +0530 Full Article
len Punjabi singer Sippy Gill booked for glorifying violence By www.newkerala.com Published On :: Sun, 08 Mar 2020 05:29:02 +0530 Full Article
len Punjabi singer Sippy Gill booked for promoting violence through his song By www.newkerala.com Published On :: Mon, 09 Mar 2020 11:12:02 +0530 Full Article
len Break your silence on high unemployment rate in Punjab: SAD to Amarinder By www.newkerala.com Published On :: Tue, 10 Mar 2020 07:22:01 +0530 Full Article
len Will cooperate with steps taken by PM, CM in this hour of shared challenge: SAD By www.newkerala.com Published On :: Mon, 23 Mar 2020 11:09:02 +0530 Full Article
len Domestic violence on the rise in Kolkata By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 06:15:00 IST A woman living in a high profile highrise off Ballygunge Phanri filed an FIR at Ballygunge police station on May 7, alleging torture and abuse by her husband. Full Article
len Ahmedabad: 29 held for Shahpur violence By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 04:22:00 IST Shahpur police, on the intervening night of Friday and Saturday, detained 29 persons in connection with the violence which erupted on Friday evening in the area. Full Article
len 'The main challenge is social distancing in slums' By www.rediff.com Published On :: Sun, 10 May 2020 12:22:12 +0530 'When we talk about social distancing, it almost impossible to maintain this in slums.' 'So we had to talk to the people about cleanliness.' 'It was a task because everybody uses public toilets. So our volunteers targeted those spots to spread awareness.' Full Article
len X-ray reflecto-interferometer based on compound refractive lenses By scripts.iucr.org Published On :: 2019-08-12 An X-ray amplitude-splitting interferometer based on compound refractive lenses, which operates in the reflection mode, is proposed and realized. The idea of a reflecto-interferometer is to use a very simplified experimental setup where a focused X-ray beam reflected from parallel flat surfaces creates an interference pattern in a wide angular range. The functional capabilities of the interferometer were experimentally tested at the European Synchrotron Radiation Facility (ESRF) ID06 beamline in the X-ray energy range from 10 keV to 15 keV. The main features of the proposed approach, high spatial and temporal resolution, were demonstrated experimentally. The reflections from free-standing Si3N4 membranes, gold and resist layers were studied. Experimentally recorded interferograms are in good agreement with our simulations. The main advantages and future possible applications of the reflecto-interferometer are discussed. Full Article text
len Leading scientists set out resource challenge of meeting net zero emissions in the UK by 2050 - The Natural History Museum By www.nhm.ac.uk Published On :: Wed, 05 Jun 2019 07:00:00 GMT Leading scientists set out resource challenge of meeting net zero emissions in the UK by 2050 The Natural History Museum Full Article
len Why the UK's streets have turned silent during coronavirus lockdown - Express.co.uk By www.express.co.uk Published On :: Wed, 29 Apr 2020 07:00:00 GMT Why the UK's streets have turned silent during coronavirus lockdown Express.co.uk Full Article
len Crystal structure of gluconate 5-dehydrogenase from Lentibacter algarum By scripts.iucr.org Published On :: 2020-04-29 Gluconate 5-dehydrogenase (Ga5DH; EC 1.1.1.69) from Lentibacter algarum (LaGa5DH) was recombinantly expressed in Escherichia coli and purified to homogeneity. The protein was crystallized and the crystal structure was solved at 2.1 Å resolution. The crystal belonged to the monoclinic system, with space group P1 and unit-cell parameters a = 55.42, b = 55.48, c = 79.16 Å, α = 100.51, β = 105.66, γ = 97.99°. The structure revealed LaGaDH to be a tetramer, with each subunit consisting of six α-helices and three antiparallel β-hairpins. LaGa5DH has high structural similarity to other Ga5DH proteins, demonstrating that this enzyme is highly conserved. Full Article text
len Bond-valence analyses of the crystal structures of FeMo/V cofactors in FeMo/V proteins By journals.iucr.org Published On :: The bond-valence method was performed on 51 crystal data sets from nitrogenase proteins, indicating the presence of molybdenum(III) in FeMo cofactors and vanadium(III) with more reduced iron complements in FeV cofactors. Full Article text
len (E)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one By scripts.iucr.org Published On :: 2019-09-27 In the title compound, C21H18O4, the dihedral angle between the naphthelene ring system (r.m.s. deviation = 0.014 Å) and the benzene ring is 9.68 (1)°. The C atom of the methoxy group of the naphthalene ring system is almost coplanar with the ring [C—O—C—C = −2.0 (3)°], whereas the C atom of the methoxy group of the phenol ring is slightly twisted [C—O—C—C = 6.2 (3)°]. An intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. Full Article text
len 1,4-Bis(4-methoxyphenyl)naphthalene By scripts.iucr.org Published On :: 2020-02-21 The title naphthalene derivative, C24H20O2, features 4-methyoxy-substituted benzene rings in the 1 and 4 positions of the naphthalene ring system. There are two crystallographically independent molecules (A and B) in asymmetric unit. The independent molecules have very similar conformations in which the naphthalene ring systems are only slightly bent, exhibiting dihedral angles between the constituent benzene rings of 3.76 (15) and 3.39 (15)° for A and B, respectively. The pendent 4-methyoxybenzene rings are splayed out of the plane through the naphthalene ring system to which they are connected [range of dihedral angles = 59.63 (13) to 67.09 (13)°]. In the crystal, the molecular packing is consolidated by intermolecular C—H⋯π interactions, leading to supramolecular chains along the b axis. The chains assemble without directional interactions between them. Full Article text
len [(1R*,3S*,4S*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate By scripts.iucr.org Published On :: 2020-02-28 The relative stereo- and regiochemistry of the racemic title compound, C25H19NO7, were established from the crystal structure. The fused benzene ring forms dihedral angles of 77.3 (1) and 60.3 (1)° with the hydroxy-substituted benzene ring and the nitro-substituted benzene ring, respectively. The dihedral angle between the hydroxy-substituted benzene ring and the nitro-substituted benzene ring is 76.4 (1)°. An intramolecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds connect the molecules, forming layers parallel to (100). Within these layers, there are weak π–π stacking interactions with a ring centroid–ring centroid distance of 3.555 (1) Å. Full Article text
len Crystal structure of N,N'-bis[3-(methylsulfanyl)propyl]-1,8:4,5-naphthalenetetracarboxylic diimide By scripts.iucr.org Published On :: 2019-05-31 The title compound, C22H22N2O4S2, was synthesized by the reaction of 1,4,5,8-naphthalenetetracarboxylic dianhydride with 3-(methylsulfanyl)propylamine. The whole molecule is generated by an inversion operation of the asymmetric unit. This molecule has an anti form with the terminal methylthiopropyl groups above and below the aromatic diimide plane, where four intramolecular C—H⋯O and C—H⋯S hydrogen bonds are present and the O⋯H⋯S angle is 100.8°. DFT calculations revealed slight differences between the solid state and gas phase structures. In the crystal, C—H⋯O and C—H⋯S hydrogen bonds link the molecules into chains along the [2overline20] direction. adjacent chains are interconnected by π–π interactions, forming a two-dimensional network parallel to the (001) plane. Each two-dimensional layer is further packed in an ABAB sequence along the c-axis direction. Hirshfeld surface analysis shows that van der Waals interactions make important contributions to the intermolecular contacts. The most important contacts found in the Hirshfeld surface analysis are H⋯H (44.2%), H⋯O/O⋯H (18.2%), H⋯C/C⋯H (14.4%), and H⋯S/S⋯H (10.2%). Full Article text
len Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 (M = Al and Ga) By scripts.iucr.org Published On :: 2019-06-25 From solutions of prehnitene and the ternary halides (SnCl)[MCl4] (M = Al, Ga) in chlorobenzene, the new cationic SnII–π-arene complexes catena-poly[[chloridoaluminate(III)]-tri-μ-chlorido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ4Cl-[chloridoaluminate(III)]-μ-chlorido-4:1'κ2Cl], [Al2Sn2Cl10(C10H14)2]n, (1) and catena-poly[[chloridogallate(III)]-tri-μ-chlorido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ4Cl-[chloridogallate(III)]-μ-chlorido-4:1'κ2Cl], [Ga2Sn2Cl10(C10H14)2]n, (2), were isolated. In these first main-group metal–prehnitene complexes, the distorted η6 arene π-bonding to the tin atoms of the Sn2Cl22+ moieties in the centre of [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 repeating units (site symmetry overline{1}) is characterized by: (i) a significant ring slippage of ca 0.4 Å indicated by the dispersion of Sn—C distances [1: 2.881 (2)–3.216 (2) Å; 2: 2.891 (3)–3.214 (3) Å]; (ii) the non-methyl-substituted arene C atoms positioned closest to the SnII central atom; (iii) a pronounced tilt of the plane of the arene ligand against the plane of the central (Sn2Cl2)2+ four-membered ring species [1: 15.59 (11)°, 2: 15.69 (9)°]; (iv) metal–arene bonding of medium strength as illustrated by application of the bond-valence method in an indirect manner, defining the π-arene bonding interaction of the SnII central atoms as s(SnII—arene) = 2 − Σs(SnII—Cl), that gives s(SnII—arene) = 0.37 and 0.38 valence units for the aluminate and the gallate, respectively, indicating that comparatively strong main-group metal–arene bonding is present and in line with the expectation that [AlCl4]− is the slightly weaker coordinating anion as compared to [GaCl4]−. Full Article text
len 5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]: crystal structure and DFT calculations By scripts.iucr.org Published On :: 2019-06-28 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. Full Article text
len Crystal structure of poly[[(μ3-hydroxido-κ3O:O:O)(μ3-selenato-κ3O1:O2:O3)tris[μ3-2-(1,2,4-triazol-4-yl)acetato-κ3N1:N2:O]tricopper(II)] dihydrate] By scripts.iucr.org Published On :: 2019-07-16 The title coordination polymer, {[Cu3(C4H4N3O9)3(SeO4)(OH)]·2H2O}n or ([Cu3(μ3-OH)(trgly)3(SeO4)]·2H2O), crystallizes in the monoclinic space group P21/c. The three independent Cu2+ cations adopt distorted square-pyramidal geometries with {O2N2+O} polyhedra. The three copper centres are bridged by a μ3-OH anion, leading to a triangular [Cu3(μ3-OH)] core. 2-(1,2,4-Triazol-4-yl)acetic acid (trgly-H) acts in a deprotonated form as a μ3-κ3N1:N2:O ligand. The three triazolyl groups bridge three copper centres of the hydroxo-cluster in an N1:N2 mode, thus supporting the triangular geometry. The [Cu3(μ3-OH)(tr)3] clusters serve as secondary building units (SBUs). Each SBU can be regarded as a six-connected node, which is linked to six neighbouring triangles through carboxylate groups, generating a two-dimensional uninodal (3,6) coordination network. The selenate anion is bound in a μ3-κ3O1:O2:O3 fashion to the trinuclear copper platform. The [Cu3(OH)(trgly)3(SeO4)] coordination layers and guest water molecules are linked together by numerous O—H⋯O and C—H⋯O hydrogen bonds, leading to a three-dimensional structure. Full Article text
len Crystal structure of 4,4'-bis(4-bromophenyl)-1,1',3,3'-tetrathiafulvalene By scripts.iucr.org Published On :: 2019-07-16 The molecule of the title compound, C18H10Br2S4, has a C-shape, with Cs molecular symmetry. The dihedral angle between the planes of the dithiol and phenyl rings is 8.35 (9)°. In the crystal, molecules form helical chains along [001], the shortest interactions being π⋯S contacts within the helices. The intermolecular interactions were investigated by Hirshfeld surface analysis. Density functional theory (DFT) was used to calculate HOMO–LUMO energy levels of the title compound and its trans isomer. Full Article text
len Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand By scripts.iucr.org Published On :: 2019-08-23 Reaction of 2-(anthracen-9-yl)phenol (HOPhAn, 1) with divalent Yb[N(SiMe3)2]2·2THF in THF–toluene mixtures affords the mixed-valence YbII–YbIII dimer {[2-(anthracen-9-yl)phenolato-κO]bis(tetrahydrofuran)ytterbium(III)}-tris[μ-2-(anthracen-9-yl)phenolato]-κ4O:O;κO:1,2-η,κO-{[2-(anthracen-9-yl)phenolato-κO]ytterbium(II)} toluene trisolvate, [Yb2(C20H13O)5(C4H8O)2]·3C7H7 or [YbIII(THF)2(OPhAn)](μ-OPhAn)3[YbII(OPhAn)]·3C7H7 (2), as the major product. It crystallized as a toluene trisolvate. The Yb—O bond lengths in the crystal structure of this dimer clearly identify the YbII and YbIII centres. Interestingly, the formally four-coordinate YbII centre shows a close contact with one anthracene C—C bond of a bridging OPhAn ligand, bringing the formal coordination number to five. Full Article text
len Crystal structure and Hirshfeld surface analysis of 2-hydroxy-7-methoxy-1,8-bis(2,4,6-trichlorobenzoyl)naphthalene By scripts.iucr.org Published On :: 2019-09-10 In the title compound, C25H12Cl6O4, the two carbonyl groups are oriented in a same direction with respect to the naphthalene ring system and are situated roughly parallel to each other, while the two 2,4,6-trichlorobenzene rings are orientated in opposite directions with respect to the naphthalene ring system: the carbonyl C—(C=O)—C planes subtend dihedral angles of 45.54 (15) and 30.02 (15)° to the naphthalene ring system are. The dihedral angles formed by the carbonyl groups and the benzene rings show larger differences, the C=O vectors being inclined to the benzene rings by 46.39 (16) and 79.78 (16)°. An intramolecular O—H⋯O=C hydrogen bond forms an S(6) ring motif. In the crystal, no effective intermolecular hydrogen bonds are found; instead, O⋯Cl and C⋯Cl close contacts are observed along the 21 helical-axis direction. The Hirshfeld surface analysis reveals several weak interactions, the major contributor being Cl⋯H/H⋯Cl contacts. Full Article text
len The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline] and 6'-(naphthalen-1-yl)-6a By scripts.iucr.org Published On :: 2019-09-27 The title compounds, 6-(naphthalen-1-yl)-6a-nitro-6,6a,6 b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-c]thiazole-11,11'-indeno[1,2-b]quinoxaline], C37H26N4O3S, (I), and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2H-spiro[acenaphthylene-1,12'-chromeno[3,4-a]indolizin]-2-one, C36H28N2O4, (II), are new spiro derivatives, in which both the pyrrolidine rings adopt twisted conformations. In (I), the five-membered thiazole ring adopts an envelope conformation, while the eight-membered pyrrolidine-thiazole ring adopts a boat conformation. An intramolecular C—H⋯N hydrogen bond occurs, involving a C atom of the pyran ring and an N atom of the pyrazine ring. In (II), the six-membered piperidine ring adopts a chair conformation. An intramolecular C—H⋯O hydrogen bond occurs, involving a C atom of the pyrrolidine ring and the keto O atom. For both compounds, the crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds. In (I), the C—H⋯O hydrogen bonds link adjacent molecules, forming R22(16) loops propagating along the b-axis direction, while in (II) they form zigzag chains along the b-axis direction. In both compounds, C—H⋯π interactions help to consolidate the structure, but no significant π–π interactions with centroid–centroid distances of less than 4 Å are observed. Full Article text
len Unexpected reactions of NHC*—CuI and —AgI bromides with potassium thio- or selenocyanate By scripts.iucr.org Published On :: 2019-10-22 The reactions of N-heterocyclic carbene CuI and AgI halides with potassium thio- or selenocyanate gave unexpected products. The attempted substitution reaction of bromido(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)silver (NHC*—Ag—Br) with KSCN yielded bis[bis(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene)silver(I)] tris(thiocyanato)argentate(I) diethyl ether disolvate, [Ag(C29H24N2)2][Ag(NCS)3]·2C4H10O or [NHC*2Ag]2[Ag(SCN)3]·2Et2O, (1), while reaction with KSeCN led to bis(μ-1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κ2Se:Se)bis[bromido(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κSe)silver(I)] dichloromethane hexasolvate, [Ag2Br2(C29H24N2Se)4]·6CH2Cl2 or (NHC*Se)4Ag2Br2·6CH2Cl2, (2), via oxidation of the NHC* fragment to 2-selenoimidazole. This oxidation was observed again in the reaction of NHC*—Cu—Br with KSeCN, yielding catena-poly[[[(1,3-dibenzyl-4,5-diphenyl-2-selenoimidazole-κSe)copper(I)]-μ-cyanido-κ2C:N] acetonitrile monosolvate], {[Cu(CN)(C29H24N2Se)]·C2H3N}n or NHC*Se—CuCN·CH3CN, (3). Compound (1) represents an organic/inorganic salt with AgI in a linear coordination in each of the two cations and in a trigonal coordination in the anion, accompanied by diethyl ether solvent molecules. The tri-blade boomerang-shaped complex anion [Ag(SCN)3]2− present in (1) is characterized by X-ray diffraction for the first time. Compound (2) comprises an isolated centrosymmetric molecule with AgI in a distorted tetrahedral BrSe3 coordination, together with dichloromethane solvent molecules. Compound (3) exhibits a linear polymeric 1∞[Cu—C≡N—Cu—] chain structure with a selenoimidazole moiety additionally coordinating to each CuI atom, and completed by acetonitrile solvent molecules. Electron densities associated with an additional ether solvent molecule in (1) and two additional dichloromethane solvent molecules in (2) were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. Full Article text
len Crystal structure and Hirshfeld surface analysis of (2E,2'E)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] By scripts.iucr.org Published On :: 2019-10-22 In the title compound, C30H20Cl2O2Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°. The Se atom is essentially coplanar with the attached benzene rings, deviating by 0.075 (1) and 0.091 (1) Å. In the two phenylene(4-chlorophenyl)prop-2-en-1-one units, the benzene rings are inclined to each other by 44.6 (3) and 7.8 (3)°. In the crystal, the molecules stack up the a axis, forming layers parallel to the ac plane. There are no significant classical intermolecular interactions present. Hirshfeld surface analysis, two-dimensional fingerprint plots and the molecular electrostatic potential surface were used to analyse the crystal packing. The Hirshfeld surface analysis suggests that the most significant contributions to the crystal packing are by C⋯H/H⋯C contacts (17.7%). Full Article text
len Crystal structure of a two-dimensional coordination polymer of formula [Zn(NDC)(DEF)] (H2NDC is naphthalene-2,6-dicarboxylic acid and DEF is N,N-diethylformamide) By scripts.iucr.org Published On :: 2019-10-29 A zinc metal–organic framework, namely poly[bis(N,N-diethylformamide)(μ4-naphthalene-2,6-dicarboxylato)(μ2-naphthalene-2,6-dicarboxylato)dizinc(II)], [Zn(C12H6O4)(C15H11NO)]n, built from windmill-type secondary building units and forming zigzag shaped two-dimensional stacked layers, has been solvothermally synthesized from naphthalene-2,6-dicarboxylic acid and zinc(II) acetate as the metal source in N,N-diethylformamide containing small amounts of formic acid. Full Article text
len [Se(CH2C(O)CH3)3][B12F11NH3]: The first selenium cation with three β-ketone substituents By scripts.iucr.org Published On :: 2020-01-17 The reaction of [Se8][B12F11NH3]2 with acetone and subsequent crystallization from acetone/diethyl ether yielded the selenium cation [Se(CH2C(O)CH3)3]+ as a by-product, which is stabilized by the weakly coordinating undecafluorinated anion [B12F11NH3]−. While attempting to crystallize pure [Se8][B12F11NH3]2, the structure of the isolated product, namely, tris(2-oxopropyl)selenium 1-ammonioundecafluorododecaborate, was surprising. The cation [Se(CH2C(O)CH3)3]+ represents the first example for a cationic selenium compound with three ketone functional groups located in the β-position with respect to the selenium atom. The cation possesses almost trigonal–pyramidal C3 symmetry and forms hydrogen bonds to the ammonio group of the anion. Full Article text
len An indenide-tethered N-heterocyclic stannylene By scripts.iucr.org Published On :: 2020-01-21 The structure of (μ-1κN:2(η2),κ2N,N'-(2-{[2,6-bis(propan-2-yl)phenyl]azanidyl}ethyl)[2-(1H-inden-1-yl)ethyl]azanido)(1,4,7,10,13,16-hexaoxacyclooctadecane-1κ6O)lithiumtin, [LiSn(C8H16O4)(C25H31N2)], at 100 K has monoclinic (P21/n) symmetry. Analysis of the coordination of the Sn to the indenyl ring shows that the Sn interacts in an η2 fashion. A database survey showed that whilst this coordination mode is unusual for Ge and Pb compounds, Sn displays a wider range of coordination modes to cyclopentadienyl ligands and their derivatives. Full Article text
len Crystal structure, characterization and Hirshfeld analysis of bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate By scripts.iucr.org Published On :: 2020-02-18 In the title compound, [Cu(C16H8Br3N2O)2]·C2H6OS, the CuII atom is tetracoordinated in a square-planar coordination, being surrounded by two N atoms and two O atoms from two N,O-bidentate (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olate ligands. The two N atoms and two O atoms around the metal center are trans to each other, with an O—Cu—O bond angle of 177.90 (16)° and a N—Cu—N bond angle of 177.8 (2)°. The average distances between the CuII atom and the coordinated O and N atoms are 1.892 (4) and 1.976 (4) Å, respectively. In the crystal, complexes are linked by C—H⋯O hydrogen bonds and by π–π interactions involving adjacent naphthalene ring systems [centroid–centroid distance = 3.679 (4) Å]. The disordered DMSO molecules interact weakly with the complex molecules, being positioned in the voids left by the packing arrangement of the square-planar complexes. The DMSO solvent molecule is disordered over two positions with occupancies of 0.70 and 0.30. Full Article text