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Delhi cop among 4 killed in violent clashes over CAA

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.




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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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Lok Sabha adjourned amid protests over Delhi violence

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.




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India goes silent on Day 2 of lockdown

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.




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PIX: UK falls silent in honour of COVID-19 warriors

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.




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JNU releases tentative academic calendar for Monsoon session, set to return to classes by June 25




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Delhi violence: Court rejects bail plea of Shahrukh Pathan




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MoooFarm wins Start-up India's Animal Husbandry Grand Challenge




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Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal–organic framework via single crystal electronic absorption spectroscopy

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01521K, Edge Article
Open Access
Patrick W. Doheny, Jack K. Clegg, Floriana Tuna, David Collison, Cameron J. Kepert, Deanna M. D'Alessandro
Gaining 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




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Precipitation-free high-affinity multivalent binding by inline lectin ligands

Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01744B, Edge Article
Open Access
Philipp Rohse, Sabrina Weickert, Malte Drescher, Valentin Wittmann
Integration 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




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TN moves SC challenging HC order to shut down liquor shops




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Tamil Nadu approaches SC challenging Madras HC order of closing liquor shops




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Ex-RBI Governor Rangarajan heads panel to look at TN fiscal challenges




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'The main challenge is social distancing in slums'

'When we talk about social distancing, it almost impossible to maintain this in slums.'




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JNU tentative academic calendar released for Monsoon session, set to return to classes by June 25

JNU tentative academic calendar released for Monsoon session, set to return to classes by June 25




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Suresh Gopi lends voice with M-Town singers for ‘Kayangal Nooru’ song

Suresh Gopi lends voice with M-Town singers for ‘Kayangal Nooru’ song




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Ahmedabad: 29 held for Shahpur violence

Ahmedabad: 29 held for Shahpur violence




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Punjab may frame law to ban songs, movies glorifying drugs and violence: Minister




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Will not allow movies promoting violence: Punjab CM




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No movies promoting violence to be allowed in Punjab, says Capt Amarinder




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Minister raises Delhi violence issue in Punjab Assembly, says national capital is in state of turmoil




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Punjabi singer Sippy Gill booked for glorifying violence




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Punjabi singer Sippy Gill booked for promoting violence through his song




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Break your silence on high unemployment rate in Punjab: SAD to Amarinder




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Will cooperate with steps taken by PM, CM in this hour of shared challenge: SAD




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Domestic violence on the rise in Kolkata

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.




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Ahmedabad: 29 held for Shahpur violence

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.




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'The main challenge is social distancing in slums'

'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.'




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X-ray reflecto-interferometer based on compound refractive lenses

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.






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Crystal structure of gluconate 5-dehydrogenase from Lentibacter algarum

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.




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Bond-valence analyses of the crystal structures of FeMo/V cofactors in FeMo/V proteins

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.




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(E)-1-(2-Hy­droxy-6-meth­oxy­phen­yl)-3-(2-meth­oxy­naphthalen-1-yl)prop-2-en-1-one

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.




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1,4-Bis­(4-meth­oxy­phen­yl)naphthalene

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.




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[(1R*,3S*,4S*)-3-(2-Hy­droxy­benzo­yl)-1,2,3,4-tetra­hydro-1,4-ep­oxy­naphthalen-1-yl]methyl 4-nitro­benzoate

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.




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Crystal structure of N,N'-bis­[3-(methyl­sulfan­yl)prop­yl]-1,8:4,5-naphthalene­tetra­carb­oxy­lic di­imide

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%).




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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)

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]−.




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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 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]

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.




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Crystal structure of 4,4'-bis­(4-bromo­phen­yl)-1,1',3,3'-tetra­thia­fulvalene

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.




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Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand

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.




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Crystal structure and Hirshfeld surface analysis of 2-hy­droxy-7-meth­oxy-1,8-bis­(2,4,6-tri­chloro­benzo­yl)naphthalene

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.




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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

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.




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Unexpected reactions of NHC*—CuI and —AgI bromides with potassium thio- or seleno­cyanate

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.




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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]

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%).




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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)

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.




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[Se(CH2C(O)CH3)3][B12F11NH3]: The first selenium cation with three β-ketone substituents

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.




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An indenide-tethered N-heterocyclic stannylene

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.




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Crystal structure, characterization and Hirshfeld analysis of bis­{(E)-1-[(2,4,6-tri­bromo­phen­yl)diazen­yl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate

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.