ya Punjab CM conferred with 'Adarsh Mukhya Mantri Puraskar' By www.newkerala.com Published On :: Mon, 24 Feb 2020 06:15:01 +0530 Full Article
ya Justice Muralidhar transferred to Punjab and Haryana HC By www.newkerala.com Published On :: Thu, 27 Feb 2020 11:30:02 +0530 Full Article
ya Met Sonia Gandhi and Priyanka to discuss about party's roadmap in Punjab, says Najvot Singh Sidhu By www.newkerala.com Published On :: Fri, 28 Feb 2020 03:44:01 +0530 Full Article
ya Wind, rain damage standing crops in Punjab, Haryana By www.newkerala.com Published On :: Fri, 06 Mar 2020 12:31:01 +0530 Full Article
ya Justice Muralidhar takes oath as Punjab and Haryan HC Judge By www.newkerala.com Published On :: Fri, 06 Mar 2020 13:44:02 +0530 Full Article
ya Punjab, Haryana supermarkets witness heavy buying By www.newkerala.com Published On :: Fri, 20 Mar 2020 17:05:02 +0530 Full Article
ya 'Janata Curfew' gets good response in Punjab, Haryana By www.newkerala.com Published On :: Sun, 22 Mar 2020 15:42:01 +0530 Full Article
ya Punjab, Haryana farmers fear lockdown may hit harvesting, procurement By www.newkerala.com Published On :: Thu, 26 Mar 2020 15:23:01 +0530 Full Article
ya COVID-19 : Punjab CM empowers Gram Panchayats to buy medicines, food for poor By www.newkerala.com Published On :: Sun, 29 Mar 2020 06:34:01 +0530 Full Article
ya Man tests positive for COVID-19 in Punjab's Nayagaon By www.newkerala.com Published On :: Tue, 31 Mar 2020 05:16:01 +0530 Full Article
ya Punjab village panchayats actively working to contain spread of coronavirus: Minister By www.newkerala.com Published On :: Tue, 07 Apr 2020 02:54:01 +0530 Full Article
ya ITI students offer to stitch masks free of cost in Punjab for administration, panchayats By www.newkerala.com Published On :: Thu, 16 Apr 2020 07:18:01 +0530 Full Article
ya High-velocity wind, rain flatten wheat crop in Punjab, Haryana By www.newkerala.com Published On :: Sat, 18 Apr 2020 13:53:01 +0530 Full Article
ya 23 of 26 samples taken of contacts of last positive case from Punjab's Nayagaon test negative By www.newkerala.com Published On :: Thu, 23 Apr 2020 15:48:02 +0530 Full Article
ya 23 Navodaya Vidyalaya students stranded in Punjab returned By www.newkerala.com Published On :: Mon, 27 Apr 2020 12:19:01 +0530 Full Article
ya Coronavirus | What turned Koyambedu, Chennai’s popular wholesale complex market, into a COVID-19 hotspot? By www.thehindu.com Published On :: Sun, 10 May 2020 01:09:09 +0530 Why has Koyambedu been so badly affected in all stages of the pandemic response? Full Article Tamil Nadu
ya Coronavirus lockdown | Three migrant workers on way to Uttar Pradesh die on Maharashtra-Madhya Pradesh border By www.thehindu.com Published On :: Sun, 10 May 2020 00:17:48 +0530 The trio were among thousands of migrant workers who have set out on foot for their home states from Maharashtra in the last few weeks amid lockdown on account for coronavirus. Full Article Other States
ya 4,311 migrant workers in Wayanad register to go home By www.thehindu.com Published On :: Sun, 10 May 2020 00:37:00 +0530 Most of them are from West Bengal Full Article Kerala
ya Five killed as truck carrying migrant workers overturns in Madhya Pradesh By www.thehindu.com Published On :: Sun, 10 May 2020 11:21:20 +0530 They were atop a heap of mangoes on the Agra-bound vehicle coming from Hyderabad. Full Article Other States
ya Madhya Pradesh: Lost for 10 years, son ends up in father's arms due to lockdown By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 08:55:36 IST Full Article
ya Madhya Pradesh: Woman gives birth on roadside, and marches on for 160km By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 09:31:51 IST Full Article
ya Rashtriya Chemicals & Fertilisers records 35 per cent hike in sale of ‘Suphala’ fertilisers By www.thehindubusinessline.com Published On :: Sun, 10 May 2020 10:24:24 +0530 A PIB press statement said that Rashtriya Chemicals & Fertilisers Ltd (RCF) has registered a hike of 35.47 per cent in the sale of fertilisers und Full Article Companies
ya Thousands of migrant workers enter Haryana from Punjab By indianexpress.com Published On :: Sat, 09 May 2020 20:45:16 +0000 Full Article Chandigarh Cities
ya Haryana: 25 people, including man with defected leg, on long march to UP’s Mirzapur By indianexpress.com Published On :: Sat, 09 May 2020 20:49:45 +0000 Full Article Chandigarh Cities
ya 13 lakh registered migrants in Haryana have rejoined work, says Khattar By indianexpress.com Published On :: Sat, 09 May 2020 22:10:31 +0000 Full Article Chandigarh Cities
ya Punjab and Haryana HC to hold 10 benches for hearing of urgent cases over video conferencing By indianexpress.com Published On :: Sun, 10 May 2020 03:44:56 +0000 Full Article Chandigarh Cities
ya Plea in Punjab and Haryana HC seeks directions to health facilities to attend non-Covid cases By indianexpress.com Published On :: Sun, 10 May 2020 05:00:50 +0000 Full Article Chandigarh Cities
ya 28 cases take Haryana's corona tally to 675 By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 20:41:56 IST The Covid-19 count of Haryana on Saturday reached 675 as 28 new cases, which includes 25 from the national capital region (NCR) were reported. A 22-year-old TB patient also succumbed to Covid-19 in Panipat taking death toll to 9 in the state. Full Article
ya Earthquake rumbles under sea off Norfolk coast | Great Yarmouth News - Great Yarmouth Mercury By www.greatyarmouthmercury.co.uk Published On :: Thu, 23 Apr 2020 07:00:00 GMT Earthquake rumbles under sea off Norfolk coast | Great Yarmouth News Great Yarmouth Mercury Full Article
ya Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II) By scripts.iucr.org Published On :: 2019-06-11 The title compound, [Co(NCS)2(C15H22N2O2)2] or C32H44CoN6O4S2, was prepared from cobalt(II) nitrate, benzyl carbazate and ammonium thiocyanate in the presence of 4-heptanone. The compound crystallizes with two centrosymmetric complexes in which the cobalt(II) atoms have a trans-CoO2N4 octahedral coordination geometry. In the crystal, N—H⋯S, C—H⋯S and C—H⋯.π contacts stack the complex molecules along the b-axis direction. Full Article text
ya Poly[1-ethyl-3-methylimidazolium [tri-μ-isothiocyanato-manganate(II)]] By scripts.iucr.org Published On :: 2019-12-17 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. Full Article text
ya Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II) By scripts.iucr.org Published On :: 2020-01-28 The title compound, [Co(C18H37N2)2(NCS)4], consists of a cobalt(II) ion positioned on the origin of the triclinic unit cell. It is coordinated by the N atoms of two trans-oriented 1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane (DABCO+) cations, which carry n-dodecyl chains at the non-coordinating N atoms. The distorted octahedral coordination environment of the CoII ion is completed through four N atoms of isothiocyanate ions, which are arranged within the equatorial plane. Non-classical hydrogen bonding of the types C—H⋯N and C—H⋯S between the filamentous molecules lead to the formation of layers parallel to (001). Full Article text
ya [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide By scripts.iucr.org Published On :: 2020-01-28 The title compound, C25H22N2O2Se, crystallizes in the space group P21/c with one molecule in the asymmetric unit. The compound was synthesized by the addition of phenylselenyl bromide to a cyanamide. The phenylselenyl portion and the cyano group, as well as the ketone functional group in the cyclohexa-2,5-dien-1-one portion of the structure, are disordered, with occupancy factors of 0.555 (14) and 0.445 (14). Full Article text
ya Crystal structure and Hirshfeld surface analysis of tris(2,2'-bipyridine)nickel(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate By scripts.iucr.org Published On :: 2019-05-24 The title compound, [Ni(C10H8N2)3](C9H5N4O)2·2H2O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O—H⋯N hydrogen bonds, forming chains running along the [010] direction. The bpy ligands of the cation are linked to the chain via C—H⋯π(cation) interactions involving the CH3 group. The intermolecular interactions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Full Article text
ya Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)iron(II) By scripts.iucr.org Published On :: 2019-05-31 The asymmetric unit of the title compound, [Fe(NCS)2(C12H9NO)4], consists of an FeII ion that is located on a centre of inversion, as well as two 4-benzoylpyridine ligands and one thiocyanate anion in general positions. The FeII ions are coordinated by two N-terminal-bonded thiocyanate anions and four 4-benzoylpyridine ligands into discrete complexes with a slightly distorted octahedral geometry. These complexes are further linked by weak C—H⋯O hydrogen bonds into chains running along the c-axis direction. Upon heating, this complex loses half of the 4-benzoylpyridine ligands and transforms into a compound with the composition Fe(NCS)2(4-benzoylpyridine)2, that might be isotypic to the corresponding MnII compound and for which the structure is unknown. Full Article text
ya Syntheses, crystal structures, and comparisons of rare-earth oxyapatites Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2 By scripts.iucr.org Published On :: 2019-06-21 Six different rare-earth oxyapatites, including Ca2RE8(SiO4)6O2 (RE = La, Nd, Sm, Eu, or Yb) and NaLa9(SiO4)6O2, were synthesized using solution-based processes followed by cold pressing and sintering. The crystal structures of the synthesized oxyapatites were determined from powder X-ray diffraction (P-XRD) and their chemistries verified with electron probe microanalysis (EPMA). All the oxyapatites were isostructural within the hexagonal space group P63/m and showed similar unit-cell parameters. The isolated [SiO4]4− tetrahedra in each crystal are linked by the cations at the 4f and 6h sites occupied by RE3+ and Ca2+ in Ca2RE8(SiO4)6O2 or La3+ and Na+ in NaLa9(SiO4)6O2. The lattice parameters, cell volumes, and densities of the synthesized oxyapatites fit well to the trendlines calculated from literature values. Full Article text
ya Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) By scripts.iucr.org Published On :: 2019-06-21 The reaction of 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole (4-pox) and thiocyanate ions, used as co-ligand with nickel salt NiCl2·6H2O, produced the title complex, [Ni(NCS)2(C12H8N4O)2(H2O)2]. The NiII atom is located on an inversion centre and is octahedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water molecules. In the crystal, the molecules are linked into a three-dimensional network through strong O—H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing. Full Article text
ya Crystal structure of a low-spin poly[di-μ3-cyanido-di-μ2-cyanido-bis(μ2-2-ethylpyrazine)dicopper(I)iron(II)] By scripts.iucr.org Published On :: 2019-07-19 In the title metal–organic framework, [Fe(C6H8N2)2{Cu(CN)2}2]n, the low-spin FeII ion lies at an inversion centre and displays an elongated octahedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethylpyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethylpyrazine molecule, which form a tetrahedral coordination environment. Two neighbouring Cu atoms have a short Cu⋯Cu contact [2.4662 (7) Å] and their coordination tetrahedra are connected through a common edge between two C atoms of cyanide groups. Each Cu2(CN)2 unit, formed by two neighbouring Cu atoms bridged by two carbons from a pair of μ-CN groups, is connected to six FeII centres via two bridging 2-ethylpyrazine molecules and four cyanide groups, resulting in the formation of a polymeric three-dimensional metal–organic coordination framework. Full Article text
ya Crystal structure of catena-poly[[gold(I)-μ-cyanido-[diaquabis(2-phenylpyrazine)iron(II)]-μ-cyanido] dicyanidogold(I)] By scripts.iucr.org Published On :: 2019-07-12 In the title polymeric complex, {[Fe(CN)2(C10H8N2)2(H2O)2][Au(CN)2]}n, the FeII ion, which is located on a twofold rotation axis, has a slightly distorted FeN4O2 octahedral geometry. It is coordinated by two phenylpyrazine molecules, two water molecules and two dicyanoaurate anions, the Au atom also being located on a second twofold rotation axis. In the crystal, the coordinated dicyanoaurate anions bridge the FeII ions to form polymeric chains propagating along the b-axis direction. In the crystal, the chains are linked by Owater—H⋯Ndicyanoaurate anions hydrogen bonds and aurophillic interactions [Au⋯Au = 3.5661 (3) Å], forming layers parallel to the bc plane. The layers are linked by offset π–π stacking interactions [intercentroid distance = 3.643 (3) Å], forming a supramolecular metal–organic framework. Full Article text
ya Synthesis and structure of push–pull merocyanines based on barbituric and thiobarbituric acid By scripts.iucr.org Published On :: 2019-08-16 Two compounds, 1,3-diethyl-5-{(2E,4E)-6-[(E)-1,3,3-trimethylindolin-2-ylidene]hexa-2,4-dien-1-ylidene}pyrimidine-2,4,6(1H,3H,5H)-trione or TMI, C25H29N3O3, and 1,3-diethyl-2-sulfanylidene-5-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]dihydropyrimidine-4,6(1H,5H)-dione or DTB, C21H25N3O2S, have been crystallized and studied. These compounds contain the same indole derivative donor group and differ in their acceptor groups (in TMI it contains oxygen in the para position, and in DTB sulfur) and the length of the π-bridge. In both materials, molecules are packed in a herringbone manner with differences in the twist and fold angles. In both structures, the molecules are connected by weak C—H⋯O and/or C—H⋯S bonds. Full Article text
ya Synthesis, characterization, crystal structure and supramolecularity of ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate and a new polymorph of ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate By scripts.iucr.org Published On :: 2019-08-23 The synthesis, crystal structure and structural motif of two thiophene-based cyanoacrylate derivatives, namely, ethyl (E)-2-cyano-3-(3-methylthiophen-2-yl)acrylate (1), C11H11NO2S, and ethyl (E)-2-cyano-3-(thiophen-2-yl)acrylate (2), C10H9NO2S, are reported. Derivative 1 crystallized with two independent molecules in the asymmetric unit, and derivative 2 represents a new monoclinic (C2/m) polymorph. The molecular conformations of 1 and the two polymorphs of 2 are very similar, as all non-H atoms are planar except for the methyl of the ethyl groups. The intermolecular interactions and crystal packing of 1 and 2 are described and compared with that of the reported monoclinic (C2/m) polymorph of derivative 2 [Castro Agudelo et al. (2017). Acta Cryst. E73, 1287–1289]. Full Article text
ya Crystal structure of tetramethylammonium 1,1,7,7-tetracyanohepta-2,4,6-trienide By scripts.iucr.org Published On :: 2019-08-23 The title compound, C4H12N+·C11H5N4−, contains one tetramethylammonium cation and one 1,1,7,7-tetracyanohepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all-trans conjugated C=C bonds conformation. Two terminal C(CN)2 dinitrile moieties are slightly twisted from the polymethine main chain to which they are attached [C(CN)2/C5 dihedral angles = 6.1 (2) and 7.1 (1)°]. The C—C bond distances along the heptadienyl chain vary in the narrow range 1.382 (2)–1.394 (2) Å, thus indicating the significant degree of conjugation. In the crystal, the anions are linked into zigzag chains along the [10overline{1}] direction by C—H⋯N(nitrile) short contacts. The antiparallel chains stack along the [110] direction with alternating separations between the neighboring anions in stacks of 3.291 and 3.504 Å. The C—H⋯N short contacts and stacking interactions combine to link the anions into layers parallel to the (overline{1}01) plane and separated by columns of tetramethylammonium cations. Full Article text
ya Crystal structure of poly[[diaquatetra-μ2-cyanido-iron(II)platinum(II)] acetone disolvate] By scripts.iucr.org Published On :: 2019-09-27 In the title polymeric complex, {[FePt(CN)4(H2O)2]·2C3H6O}n, the FeII cation has an octahedral [FeN4O2] geometry being coordinated by two water molecules and four cyanide anions. The Pt cation is located on an inversion centre and has a square-planar coordination environment formed by four cyanide groups. The tetracyanoplatinate anions bridge the FeII cations to form infinite two-dimensional layers that propagate in the bc plane. Two guest molecules of acetone per FeII are located between the layers. These guest acetone molecules interact with the coordinated water molecules by O—H⋯O hydrogen bonds. Full Article text
ya Crystal structures of two 4H-chromene derivatives: 2-amino-3-cyano-4-(3,4-dichlorophenyl)-7-hydroxy-4H-benzo[1,2-b]pyran 1,4-dioxane monosolvate and 2-amino-3-cyano-4-(2,6-dichlorophenyl)-7-hydroxy-4H-benzo[ By scripts.iucr.org Published On :: 2019-09-27 In the title compounds, C16H9Cl2N2O2·C4H8O2 and C16H9Cl2N2O2, the bicyclic 4H-chromene cores are nearly planar with maximum deviations of 0.081 (2) and 0.087 (2) Å. In both structures, the chromene derivative molecules are linked into centrosymmetric dimers by pairs of N—H⋯O hydrogen bonds, forming R22(16) motifs. These dimers are further linked in the 3,4-dichlorophenyl derivative by N—H⋯N hydrogen bonds into double layers parallel to (100) and in the 2,6-dichlorophenyl derivative by O—H⋯N hydrogen bonds into ribbons along the [1overline{1}0] direction. In the 3,4-dichlorophenyl derivative, the 1,4-dioxane solvent molecules are connected to the chromene molecules via O—H⋯O hydrogen bonds. Full Article text
ya 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
ya Crystal structure, synthesis and thermal properties of bis(acetonitrile-κN)bis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)nickel(II) By scripts.iucr.org Published On :: 2019-10-22 In the crystal structure of the title compound, [Ni(NCS)2(CH3CN)2(C12H9NO)2] or Ni(NCS)2(4-benzoylpyridine)2(acetonitrile)2, the NiII ions are octahedrally coordinated by the N atoms of two thiocyanate anions, two 4-benzoylpyridine ligands and two acetonitrile molecules into discrete complexes that are located on centres of inversion. In the crystal, the discrete complexes are linked by centrosymmetric pairs of weak C—H⋯S hydrogen bonds into chains. Thermogravimetric measurements prove that, upon heating, the title complex loses the two acetonitrile ligands and transforms into a new crystalline modification of the chain compound [Ni(NCS)2(4-benzoylpyridine)2], which is different from that of the corresponding CoII, NiII and CdII coordination polymers reported in the literature. IR spectroscopic investigations indicate the presence of bridging thiocyanate anions but the powder pattern cannot be indexed and, therefore, this structure is unknown. Full Article text
ya Crystal structure of pyridinium tetraisothiocyanatodipyridinechromium(III) pyridine monosolvate By scripts.iucr.org Published On :: 2019-11-15 In the crystal structure of the title compound, (C5H6N)[Cr(NCS)4(C5H5N)2]·C5H5N, the CrIII ions are octahedrally coordinated by four N-bonding thiocyanate anions and two pyridine ligands into discrete negatively charged complexes, with the CrIII ion, as well as the two pyridine ligands, located on crystallographic mirror planes. The mean planes of the two pyridine ligands are rotated with respect to each other by 90°. Charge balance is achieved by one protonated pyridine molecule that is hydrogen bonded to one additional pyridine solvent molecule, with both located on crystallographic mirror planes and again rotated by exactly 90°. The pyridinium H atom was refined as disordered between both pyridine N atoms in a 70:30 ratio, leading to a linear N—H⋯N hydrogen bond. In the crystal, discrete complexes are linked by weak C—H⋯S hydrogen bonds into chains that are connected by additional C—H⋯S hydrogen bonding via the pyridinium cations and solvent molecules into layers and finally into a three-dimensional network. Full Article text
ya Crystal structure of catena-poly[[[(2-ethoxypyrazine-κN)copper(I)]-di-μ2-cyanido] [copper(I)-μ2-cyanido]] By scripts.iucr.org Published On :: 2019-10-31 In the asymmetric unit of the title coordination compound, {[Cu(CN)(C4H3OC2H5N2)][Cu(CN)]}n, there are two Cu atoms with different coordination environments. One CuI ion is coordinated in a triangular coordination geometry by the N atom of the 2-ethoxypyrazine molecule and by two bridging cyanide ligands, equally disordered over two sites exchanging C and N atoms, thus forming polymeric chains parallel to the c axis. The other Cu atom is connected to two bridging cyanide groups disordered over two sites with an occupancy of 0.5 for each C and N atom, and forming an almost linear polymeric chain parallel to the b axis. In the crystal, the two types of chain, which are orthogonal to each other, are connected by cuprophilic Cu⋯Cu interactions [2.7958 (13) Å], forming two-dimensional metal–organic coordination layers parallel to the bc plane. The coordination framework is further stabilized by weak long-range (electrostatic type) C—H⋯π interactions between cyano groups and 2-ethoxypyrazine rings. Full Article text
ya Synthesis, crystal structure and characterizations of di-μ-cyanido-1:2κ2N:C;2:3κ2C:N-bis(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-1κ8N1,N10,O4,O7,O13,O16,O21,O24;3κ8N1,N10,O4,O7,O13,O16,O21,O24-[5,10, By scripts.iucr.org Published On :: 2019-11-26 The title compound, [Fe(C44H24N8Cl4)(CN)2][K2(C18H36N2O6)2]·2C4H8O was synthesized and characterized by single-crystal X-ray diffraction as well as FTIR and UV–vis spectroscopy. The central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two C atoms of the cyano groups in a slightly distorted octahedral coordination environment. The complex molecule crystallizes with two tetrahydrofuran solvent molecules, one of which was refined as disordered over two sets of sites with refined occupancies of 0.619 (5) and 0.381 (5). It has a distorted porphyrin core with mean absolute core-atom displacements Ca, Cb, Cm and Cav of 0.32 (3), 0.22 (3), 0.56 (2) and 0.37 (14) Å, respectively. The axial Fe—Ccyano bond lengths are 1.991 (2) and 1.988 (2) Å. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.964 (10) Å. One of the O atoms and several C atoms of the 222 moiety [222 = 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane] were refined as disordered over two sets of sites with occupancy ratios of 0.739 (6):0.261 (6) and 0.832 (4):0.168 (4). Additional solvent molecules were found to be highly disordered and their contribution to the scattering was removed using the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 372 Å3 containing approximately 83 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data. Full Article text
ya Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1H-1,2,4-triazole-5(4H)-thione By scripts.iucr.org Published On :: 2020-01-01 The complete molecule of the binuclear title complex, bis[μ-1H-1,2,4-triazole-5(4H)-thione-κ2S:S]bis{(thiocyanato-κS)[1H-1,2,4-triazole-5(4H)-thione-κS]silver(I)}, [Ag2(SCN)2(C2H3N3S)4], is generated by crystallographic inversion symmetry. The independent triazole-3-thione ligands employ the exocyclic-S atoms exclusively in coordination. One acts as a terminal S-ligand and the other in a bidentate (μ2) bridging mode to provide a link between two AgI centres. Each AgI atom is also coordinated by a terminal S-bound thiocyanate ligand, resulting in a distorted AgS4 tetrahedral coordination geometry. An intramolecular N—H⋯S(thiocyanate) hydrogen bond is noted. In the crystal, amine-N—H⋯S(thione), N—H⋯N(triazolyl) and N—H⋯N(thiocyanate) hydrogen bonds give rise to a three-dimensional architecture. The packing is consolidated by triazolyl-C—H⋯S(thiocyanate), triazolyl-C—H⋯N(thiocyanate) and S⋯S [3.2463 (9) Å] interactions as well as face-to-face π–π stacking between the independent triazolyl rings [inter-centroid separation = 3.4444 (15) Å]. An analysis of the calculated Hirshfeld surfaces shows the three major contributors are due to N⋯H/H⋯N, S⋯H/H⋯S and C⋯H/H⋯C contacts, at 35.8, 19.4 and 12.7%, respectively; H⋯H contacts contribute only 7.6% to the overall surface. Full Article text