zen N,N'-Bis(pyridin-4-ylmethyl)oxalamide benzene monosolvate: crystal structure, Hirshfeld surface analysis and computational study By scripts.iucr.org Published On :: 2019-07-09 The asymmetric unit of the title 1:1 solvate, C14H14N4O2·C6H6 [systematic name of the oxalamide molecule: N,N'-bis(pyridin-4-ylmethyl)ethanediamide], comprises a half molecule of each constituent as each is disposed about a centre of inversion. In the oxalamide molecule, the central C2N2O2 atoms are planar (r.m.s. deviation = 0.0006 Å). An intramolecular amide-N—H⋯O(amide) hydrogen bond is evident, which gives rise to an S(5) loop. Overall, the molecule adopts an antiperiplanar disposition of the pyridyl rings, and an orthogonal relationship is evident between the central plane and each terminal pyridyl ring [dihedral angle = 86.89 (3)°]. In the crystal, supramolecular layers parallel to (10overline{2}) are generated owing the formation of amide-N—H⋯N(pyridyl) hydrogen bonds. The layers stack encompassing benzene molecules which provide the links between layers via methylene-C—H⋯π(benzene) and benzene-C—H⋯π(pyridyl) interactions. The specified contacts are indicated in an analysis of the calculated Hirshfeld surfaces. The energy of stabilization provided by the conventional hydrogen bonding (approximately 40 kJ mol−1; electrostatic forces) is just over double that by the C—H⋯π contacts (dispersion forces). Full Article text
zen Crystal structure and Hirshfeld surface analysis of (E)-4-{[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]diazenyl}benzonitrile By scripts.iucr.org Published On :: 2019-07-16 In the title compound, C16H11Cl2N3O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C—H⋯O contacts and face-to-face π–π stacking interactions [centroid–centroid distances = 3.9116 (14) and 3.9118 (14) Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl⋯H/H⋯Cl (22.8%), H⋯H (21.4%), N⋯H/H⋯N (16.1%), C⋯H/H⋯C (14.7%) and C⋯C (9.1%) interactions. Full Article text
zen Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (E)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-ni By scripts.iucr.org Published On :: 2019-07-19 In the two isotypic title compounds, C14H8BrCl2N3O2, (I), and C14H8Cl3N3O2, (II), the substitution of one of the phenyl rings is different [Br for (I) and Cl for (II)]. Aromatic rings form dihedral angles of 60.9 (2) and 64.1 (2)°, respectively. Molecules are linked through weak X⋯Cl contacts [X = Br for (I) and Cl for (II)], C—H⋯Cl and C—Cl⋯π interactions into sheets parallel to the ab plane. Additional van der Waals interactions consolidate the three-dimensional packing. Hirshfeld surface analysis of the crystal structures indicates that the most important contributions for the crystal packing for (I) are from C⋯H/H⋯C (16.1%), O⋯H/H⋯O (13.1%), Cl⋯H/H⋯Cl (12.7%), H⋯H (11.4%), Br⋯H/H⋯Br (8.9%), N⋯H/H⋯N (6.9%) and Cl⋯C/C⋯Cl (6.6%) interactions, and for (II), from Cl⋯H / H⋯Cl (21.9%), C⋯H/H⋯C (15.3%), O⋯H/H⋯O (13.4%), H⋯H (11.5%), Cl⋯C/C⋯Cl (8.3%), N⋯H/H⋯N (7.0%) and Cl⋯Cl (5.9%) interactions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917 (12):0.0083 (12). Full Article text
zen Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes By scripts.iucr.org Published On :: 2019-09-27 The syntheses and crystal structures of three cyclotriphosphazenes, all with fluorinated aryloxy side groups that generate different steric characteristics, viz. hexakis(pentafluorophenoxy)cyclotriphosphazene, N3P3(OC6F5)6, 1, hexakis[4-(trifluoromethyl)phenoxy]cyclotriphosphazene, N3P3[OC6H4(CF3)]6, 2 and hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene, N3P3[OC6H3(CF3)2]6 3, are reported. Specifically, each phosphorus atom bears either two pentafluorophenoxy, 4-trifluoromethylphenoxy, or 3,5-trifluoromethylphenoxy groups. The central six-membered phosphazene rings display envelope pucker conformations in each case, albeit to varying degrees. The maximum displacement of the `flap atom' from the plane through the other ring atoms [0.308 (5) Å] is seen in 1, in a molecule that is devoid of hydrogen atoms and which exhibits a `wind-swept' look with all the aromatic rings displaced in the same direction. In 3 an intramolecular C—H(aromatic)⋯F interaction is observed. All the –CF3 groups in 2 and 3 exhibit positional disorder over two rotated orientations in close to statistical ratios. The extended structures of 2 and 3 are consolidated by C—H⋯F interactions of two kinds: (a) linear chains, and (b) cyclic between molecules related by inversion centers. In both 1 and 3, one of the six substituted phenyl rings has a parallel-displaced aromatic π–π stacking interaction with its respective symmetry mate with slippage values of 2.2 Å in 1 and 1.0 Å in 3. None of the structures reported here have solvent voids that could lead to clathrate formation. Full Article text
zen Synthesis and crystal structure of (E)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate By scripts.iucr.org Published On :: 2019-10-29 The title molecular salt, C9H12N3O2S+·HSO4−, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal comprises two entities, a thiosemicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intramolecular O—H⋯N hydrogen bond. In the crystal, a three-dimensional network is established through O—H⋯O and N—H⋯O hydrogen bonds. A weak intermolecular C—H⋯O hydrogen bond is also observed. The hydrogen sulfate anion exhibits disorder over two sets of sites and was modelled with refined occupancies of 0.501 (6) and 0.499 (6). Full Article text
zen An iridium complex with an unsupported Ir—Zn bond: diiodido(η5-pentamethylcyclopentadienyl)bis(trimethylphosphane)iridiumzinc(Ir—Zn) benzene hemisolvate By scripts.iucr.org Published On :: 2019-11-05 The title compound, [IrZnI2(C10H15)(C3H9P)2]·0.5C6H6 or [Cp*(PMe3)2Ir]-[ZnI2] (Cp* = cyclo-C5Me5) was obtained and characterized as its benzene solvate [Cp*(PMe3)2Ir]-[ZnI2]·0.5C6H6. The bimetallic complex in this structure contains the Lewis-acidic fragment ZnI2 bonded to the Lewis-basic fragment Cp*(PMe3)2Ir, with an Ir—Zn bond distance of 2.452 (1) Å. The compound was obtained by reacting [Cp*(PMe3)IrI2] with 2-Ad2Zn (2-Ad = 2-adamantyl), resulting in the reduction of the IrIII complex and formation of the IrI–ZnII adduct. The crystal studied was a twin by non-merohedry with a refined BASF parameter of 0.223 (1). Full Article text
zen Synthesis and crystal structure of (E)-1,2-bis[2-(methylsulfanyl)phenyl]diazene By scripts.iucr.org Published On :: 2019-10-31 The title compound, C14H14N2S2, was obtained by transmetallation of 2,2'-bis(trimethylstannyl)azobenzene with methyl lithium, and subsequent quenching with dimethyl disulfide. The asymmetric unit comprises two half-molecules, the other halves being completed by inversion symmetry at the midpoint of the azo group. The two molecules show only slight differences with respect to N=N, S—N and aromatic C=C bonds or angles. Hirshfeld surface analysis reveals that except for one weak H⋯S interaction, intermolecular interactions are dominated by van der Waals forces only. Full Article text
zen Crystal structure and Hirshfeld surface analysis of poly[tris(μ4-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network By scripts.iucr.org Published On :: 2019-11-08 The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal–organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C—H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis. Full Article text
zen (E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis By scripts.iucr.org Published On :: 2019-11-26 The title compound, C14H12BrNO2, was synthesized by the condensation reaction of 2,3-dihydroxybenzaldehyde and 2-bromo-3-methylaniline. It crystallizes in the centrosymmetric triclinic space group Poverline{1}. The configuration about the C=N bond is E. The dihedral angle between the planes of the 5-(2-bromo-3-methylphenyl ring and the catechol ring is 2.80 (17)°. In the crystal, O—H⋯O hydrogen-bond interactions consolidate the crystal packing. Full Article text
zen The crystal structure of the triclinic polymorph of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene By scripts.iucr.org Published On :: 2019-11-29 The title triclinic polymorph (Form I) of 1,4-bis([2,2':6',2''-terpyridin]-4'-yl)benzene, C36H24N6, was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the orthorhombic polymorph (Form II), has been described previously [Fernandes et al. (2010). Acta Cryst. E66, o3241–o3242]. The asymmetric unit of Form I consists of half a molecule, the whole molecule being generated by inversion symmetry with the central benzene ring being located about a crystallographic centre of symmetry. The side pyridine rings of the 2,2':6',2''-terpyridine (terpy) unit are rotated slightly with respect to the central pyridine ring, with dihedral angles of 8.91 (8) and 10.41 (8)°. Opposite central pyridine rings are coplanar by symmetry, and the angle between them and the central benzene ring is 49.98 (8)°. The N atoms of the pyridine rings inside the terpy entities, N⋯N⋯N, lie in trans–trans positions. In the crystal, molecules are linked by C—H⋯π and offset π–π interactions [intercentroid distances are 3.6421 (16) and 3.7813 (16) Å], forming a three-dimensional structure. Full Article text
zen Crystal structure of 4-methyl-N-(4-methylbenzyl)benzenesulfonamide By scripts.iucr.org Published On :: 2020-01-17 The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methylbenzylamine and p-toluenesulfonyl chloride. In the crystal, N—H⋯O hydrogen bonds link the molecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two intermolecular C—H⋯π interactions that link these hydrogen-bonded ribbons into a three-dimensional network. Full Article text
zen A new pseudopolymorph of perchlorinated neopentasilane: the benzene monosolvate Si(SiCl3)4·C6H6 By scripts.iucr.org Published On :: 2020-01-31 A new pseudopolymorph of dodecachloropentasilane, namely a benzene monosolvate, Si5Cl12·C6H6, is described. There are two half molecules of each kind in the asymmetric unit. Both Si5Cl12 molecules are completed by crystallographic twofold symmetry. One of the benzene molecules is located on a twofold rotation axis with two C—H groups located on this rotation axis. The second benzene molecule has all atoms on a general position: it is disordered over two equally occupied orientations. No directional interactions beyond normal van der Waals contacts occur in the crystal. Full Article text
zen 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
zen Synthesis, crystal structure, and thermal properties of poly[aqua(μ5-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium] By scripts.iucr.org Published On :: 2020-02-14 A coordination polymer formulated as [Sr(H2BTEC)(H2O)]n (H4BTEC = benzene-1,2,4,5-tetracarboxylic acid, C10H6O8), was synthesized hydrothermally and characterized by single-crystal and powder X-ray diffraction, scanning electron microscopy and thermal analysis. Its crystal structure is made up of a zigzag inorganic chain formed by edge-sharing of [SrO8] polyhedra running along [001]. Adjacent chains are connected to each other via the carboxylate groups of the ligand, resulting in a double-layered network extending parallel to (100). O—H⋯O hydrogen bonds of medium-to-weak strength between the layers consolidate the three-dimensional structure. One of the carboxylic OH functions was found to be disordered over two sets of sites with half-occupancy. Full Article text
zen Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine By scripts.iucr.org Published On :: 2020-02-28 The molecular structure of the title compound, C11H15NO2S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and intermolecular C—H⋯O hydrogen bonds, as well as intermolecular C—H⋯π and π–π interactions, leading to the formation of sheets parallel to the ac plane. Full Article text
zen Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1H-pyrazol-2-yl)acetate By scripts.iucr.org Published On :: 2020-03-03 In the title compound, C13H15N3O5S, the two rings face each other in a `V' form at the S atom, with one N—H⋯O=S and one C—H⋯O=S contact from the pyrazolyl substituents to the sulfonyl group. Two classical hydrogen bonds from the amine group, one of the form N—H⋯O=S and one N—H⋯O=Coxo, link the molecules to form layers parallel to the bc plane. Full Article text
zen 2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2H)-one: crystal structure, Hirshfeld surface analysis and computational study By scripts.iucr.org Published On :: 2020-04-21 The X-ray crystal structure of the title phthalazin-1-one derivative, C17H16N2O3S {systematic name: 2-[(2,4,6-trimethylbenzene)sulfonyl]-1,2-dihydrophthalazin-1-one}, features a tetrahedral sulfoxide-S atom, connected to phthalazin-1-one and mesityl residues. The dihedral angle [83.26 (4)°] between the organic substituents is consistent with the molecule having the shape of the letter V. In the crystal, phthalazinone-C6-C—H⋯O(sulfoxide) and π(phthalazinone-N2C4)–π(phthalazinone-C6) stacking [inter-centroid distance = 3.5474 (9) Å] contacts lead to a linear supramolecular tape along the a-axis direction; tapes assemble without directional interactions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of the C—H⋯O and π-stacking interactions but, also H⋯H and C—H⋯C contacts. The calculation of the interaction energies indicate the importance of dispersion terms with the greatest energies calculated for the C—H⋯O and π-stacking interactions. Full Article text
zen Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: cis-diaquatetrakis(dimethylformamide-κO)manganese(II) tetrakis(μ3-N,2-dioxidobenzene-1-carboximidate)pentacopper(II) By scripts.iucr.org Published On :: 2020-04-30 The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3− is salicylhydroximate, and DMF is N,N-dimethylformamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main molecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each pentacopper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2− is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octahedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water molecules of the MnII ion. The water molecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3− ligands of the MCs. Full Article text
zen Scientists establish first frozen repository of Hawaiian coral By insider.si.edu Published On :: Wed, 18 Aug 2010 08:26:38 +0000 Unless action is taken now, coral reefs and many of the animals that depend on them may cease to exist within the next 40 years, causing the first global extinction of a worldwide ecosystem during current history. The post Scientists establish first frozen repository of Hawaiian coral appeared first on Smithsonian Insider. Full Article Marine Science Research News Science & Nature climate change conservation coral reefs endangered species extinction fungi greenhouse gas Smithsonian's National Zoo
zen Smithsonian Conservation Biology Institute to help create frozen repository of sperm and embryonic cells for Great Barrier Reef corals By insider.si.edu Published On :: Thu, 19 May 2011 13:18:06 +0000 Researchers at the Smithsonian Conservation Biology Institute and partnering organizations will build a frozen repository of Great Barrier Reef coral sperm and embryonic cells. Genetic banks composed of frozen biomaterials hold strong promise for basic and applied research and conservation of species and genetic variation. The post Smithsonian Conservation Biology Institute to help create frozen repository of sperm and embryonic cells for Great Barrier Reef corals appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature biodiversity climate change conservation conservation biology coral reefs endangered species extinction fungi Smithsonian Conservation Biology Institute
zen Scientists turn to social networking and citizen scientists to help keep track of amphibians By insider.si.edu Published On :: Wed, 08 Jun 2011 19:47:10 +0000 Any adventurer, hiker or backyard naturalist with a camera can help scientists survey and hopefully save the world’s amphibians thanks to a new social networking site that links “citizen scientists” with researchers tracking the decline of amphibians around the globe. The post Scientists turn to social networking and citizen scientists to help keep track of amphibians appeared first on Smithsonian Insider. Full Article Animals Research News Science & Nature amphibian biodiversity citizen science conservation biology endangered species extinction Smithsonian's National Zoo
zen Smithsonian scientists help build first frozen repository of Great Barrier Reef coral By insider.si.edu Published On :: Mon, 12 Dec 2011 13:48:03 +0000 Researchers from the Smithsonian Conservation Biology Institute, Hawaii Institute of Marine Biology and other partnering organizations spent two weeks at the end of November collecting sperm and embryonic cells during spawning from two species of coral and have built the first frozen repository for the Great Barrier Reef. The post Smithsonian scientists help build first frozen repository of Great Barrier Reef coral appeared first on Smithsonian Insider. Full Article Animals Marine Science Science & Nature biodiversity Caribbean conservation biology coral reefs endangered species extinction Smithsonian's National Zoo veterinary medicine
zen Klondike, puppy born from a frozen embryo, fetches good news for endangered animals By insider.si.edu Published On :: Fri, 08 Feb 2013 17:12:29 +0000 The process of freezing materials such as fertilized eggs – cryopreservation – provides researchers with a tool to repopulate endangered species. The post Klondike, puppy born from a frozen embryo, fetches good news for endangered animals appeared first on Smithsonian Insider. Full Article Animals conservation conservation biology endangered species mammals new species Smithsonian Conservation Biology Institute veterinary medicine
zen How do National Zoo animals beat the heat? Bloodsicles and other frozen delicacies By insider.si.edu Published On :: Thu, 30 Aug 2018 12:00:42 +0000 When the heat and humidity of the Washington, D.C. summer sends its residents scrambling for air conditioning and iced coffee, the animal care specialists at […] The post How do National Zoo animals beat the heat? Bloodsicles and other frozen delicacies appeared first on Smithsonian Insider. Full Article Animals Science & Nature Smithsonian's National Zoo
zen Zen and the art of fine art conservation: Behind the scenes in the Freer Gallery’s art conservation lab By insider.si.edu Published On :: Wed, 21 Sep 2011 14:01:25 +0000 What's possibly the most calming yet nerve-racking job in the world? Come behind the scenes of the Smithsonian's Freer Gallery of Art to find out! The post Zen and the art of fine art conservation: Behind the scenes in the Freer Gallery’s art conservation lab appeared first on Smithsonian Insider. Full Article Science & Nature Video conservation materials science
zen The missing crystal structure in the series of N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative By journals.iucr.org Published On :: In the first reported crystal structure involving the potential ligand N,N',N''-tris(2-pyridinyl)-1,3,5-benzenetricarboxamide, intermolecular N—H⋯O hydrogen bonds link the molecules via their amide groups into slanted ladder-like chains. Only two of the three amide groups in the molecule are involved in hydrogen bonding, which influences the degree of out-of-plane twisting at each amide group. Full Article text
zen Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(E)-(4-fluorophenyl)diazenyl]ethenyl}-N,N-dimethylaniline By journals.iucr.org Published On :: The dihedral angle between the two aromatic rings of the title compound is 64.12 (14)°. The crystal structure is stabilized by a short Cl⋯H contact, C—Cl⋯π and van der Waals interactions. Full Article text
zen Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(E)-(4-fluorophenyl)diazenyl]ethenyl}-N,N-dimethylaniline By scripts.iucr.org Published On :: 2020-05-06 In the title compound, C16H14Cl2FN3, the dihedral angle between the two aromatic rings is 64.12 (14)°. The crystal structure is stabilized by a short Cl...H contact, C—Cl...π and van der Waals interactions. The Hirshfeld surface analysis and two-dimensional fingerprint plots show that H...H (33.3%), Cl...H/H...Cl (22.9%) and C...H/H...C (15.5%) interactions are the most important contributors towards the crystal packing. Full Article text
zen The missing crystal structure in the series of N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative By scripts.iucr.org Published On :: 2020-05-01 In the first reported crystal structure involving the potential ligand N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide, C24H18N6O3, intermolecular N—H...O hydrogen bonds link the molecules via their amide groups into slanted ladder-like chains, in which the uprights of the ladder are formed by the hydrogen-bonding interactions and the benzene ring cores of the molecules act as the rungs of the ladder. Only two of the three amide groups in the molecule are involved in hydrogen bonding and this influences the degree of out-of-plane twisting at each amide group, with the twist being more significant for those amide groups participating in hydrogen bonds. Full Article text
zen Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene By scripts.iucr.org Published On :: 2020-04-30 A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB molecules with DMSO molecules between, accepting I⋯O halogen bonds from two TFDIB molecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO molecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO molecules showing four distinct disorder components, corresponding to an overlay of the 297 and 120 K structures. Assessment of the intermolecular interaction energies using the PIXEL method indicates that the various orientations of the DMSO molecules have very similar total interaction energies with the molecules of the TFDIB framework. The phase transformation is driven by interactions between DMSO molecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing interactions between neighbouring DMSO molecules, which lock in an ordered arrangement along the shortened a axis. Full Article text
zen Scenes From a Frozen World By www.bleepingcomputer.com Published On :: 2019-02-02T06:21:47-05:00 Full Article
zen New Report Says ‘Citizen Science’ Can Support Both Science Learning and Research Goals By feedproxy.google.com Published On :: Thu, 01 Nov 2018 05:00:00 GMT Scientific research that involves nonscientists contributing to research processes – also known as ‘citizen science’ – supports participants’ learning, engages the public in science, contributes to community scientific literacy, and can serve as a valuable tool to facilitate larger scale research, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
zen G-7 Science Academies Release Statements on Science and Trust, Artificial Intelligence, Citizen Science By feedproxy.google.com Published On :: Sat, 06 Apr 2019 05:00:00 GMT Today the national science academies of the G-7 countries issued three joint statements to their respective governments, to inform discussions during the G-7 summit to be held in August in France, as well as to inform ongoing policymaking. Full Article
zen Citizen science fosters environmentally-friendly behaviour By ec.europa.eu Published On :: Thu, 7 Feb 2013 11:45:03 GMT Citizen science is not only a tool for collecting valuable scientific data, it can also enable participants to reconnect with nature and encourage pro-conservation behaviour, new research has shown. Participants in a French butterfly monitoring programme reported making wildlife-friendly changes to their gardens as a result of taking part in the initiative. Full Article
zen Citizens encouraged to help monitor wild bird species By ec.europa.eu Published On :: Thu, 19 May 2011 12:16:03 +0100 The public can help assess the human impact on wild birds through amateur ‘citizen science’ networks, according to new research. Scientists evaluated the suitability of data collected by amateur bird-watchers for long-term monitoring of European bird populations. Their findings suggest that citizen data may significantly improve the accuracy of existing official survey methods, as well as help increase public awareness of wild bird conservation. Full Article
zen Citizen engagement with national policy: energy project shares its experiences By ec.europa.eu Published On :: Thu, 11 Dec 2014 9:23:19 GMT Ensuring successful public engagement in policy can be difficult. Four key challenges – communicating complexity, providing balanced information, creating space for deliberation and accessing broader values – are highlighted by a new study. Its authors show how they dealt with these challenges in a UK programme, designed to gather public views on the future of national energy policy. Full Article
zen Citizens recycle even in the absence of economic incentives, shows study from Malta By ec.europa.eu Published On :: Thu, 06 Oct 2016 10:12:34 +0100 Recycling has significant environmental benefits and is key to a circular economy. The EU has set a goal for Member States to recycle 50% of their municipal waste by 2020 and plans to set a 65% target for 2030, although progress towards this goal is variable. This study assessed a waste separation scheme in Malta, a Member State with traditionally low levels of recycling. Even though mixed waste was collected more frequently and for free, residents contributed to the voluntary recycling scheme, with participation increasing over time. This study provides useful insights for developing voluntary policy approaches. Full Article
zen Citizen science: what value for environmental policy? By ec.europa.eu Published On :: Thur, 10 Sep 2015 9:23:19 GMT Can citizen science help to drive environmental policy? What is its added value? Our short interview with Tom Wakeford (Reader in Public Science and Citizen Engagement at Coventry University, UK) examines some of the issues and a possible future for citizen science in environmental policy in Europe. Full Article
zen Flood risk management as a government–citizen partnership By ec.europa.eu Published On :: Thu, 01 Sep 2016 10:12:34 +0100 Throughout Europe and beyond, the delivery of flood risk management (FRM) is increasingly being seen as the shared responsibility of governmental actors and citizens. However, a new study, which explored the viewpoints of stakeholders in a flood-prone part of Belgium, found that citizens see FRM mainly as the government’s responsibility. Full Article
zen Government of Rajasthan selects Teradata big data solutions to improve citizen services & engagement By cio.economictimes.indiatimes.com Published On :: 2017-11-23T13:52:27+05:30 Rajasthan to create a common data and analytics platform for all government departments across the State to collate and utilize data more effectively and efficiently, improving the delivery of citizen services with the help of Teradata solutions. Full Article
zen Persistent Systems invests in big data firm Cazena By cio.economictimes.indiatimes.com Published On :: 2018-07-25T15:23:00+05:30 The company has gained significant traction as enterprises face massive skills shortages in big data, cloud and associated development operations, or ‘DevOps’. Full Article
zen Citizens encouraged to help monitor wild bird species By ec.europa.eu Published On :: Thu, 19 May 2011 12:14:05 +0100 The public can help assess the human impact on wild birds through amateur 'citizen science' networks, according to new research. Scientists evaluated the suitability of data collected by amateur bird-watchers for long-term monitoring of European bird populations. Their findings suggest that citizen data may significantly improve the accuracy of existing official survey methods, as well as help increase public awareness of wild bird conservation. Full Article
zen The future is bright for environmental citizen science By ec.europa.eu Published On :: Fri, 26 Aug 2011 11:58:07 +0100 A review of a decade of environmental citizen science ??? where the general public are involved in science as researchers ??? concludes that its benefits to science and society far outweigh concerns over data quality. Challenges can be overcome through volunteer training and should not be used to devalue citizen science programmes, say the researchers. Full Article
zen Citizen science fosters environmentally-friendly behaviour By ec.europa.eu Published On :: Thu, 7 Feb 2013 11:56:59 GMT Citizen science is not only a tool for collecting valuable scientific data, it can also enable participants to reconnect with nature and encourage pro-conservation behaviour, new research has shown. Participants in a French butterfly monitoring programme reported making wildlife-friendly changes to their gardens as a result of taking part in the initiative. Full Article
zen Citizen scientists help reveal effects of roads on frogs and toads By ec.europa.eu Published On :: Thu, 22 Jan 2015 9:23:19 GMT Roads reduce the species diversity and distribution of frogs and toads, a new US study reports. The large-scale study used data from a national citizen science programme in which members of the public help monitor amphibian populations. Full Article
zen Citizen science could address impact of global change on biodiversity By ec.europa.eu Published On :: Thu, 21 May 2015 9:23:19 GMT Citizen science holds the potential to address some of the biggest concerns facing biodiversity researchers, according to a new study. The study found that volunteers already save biodiversity research huge sums of money, but that their contributions are underused. Full Article
zen Citizen scientists successfully monitor bat populations By ec.europa.eu Published On :: Wed, 06 June 2015 9:23:19 GMT Bat populations are showing signs of recovery in the UK, according to a citizen science programme. The authors of a recent study which reports the programme’s findings say that this shows volunteers can successfully monitor wild species and produce robust data suitable for policy purposes. Full Article
zen Citizen scientists map air pollution with smartphones By ec.europa.eu Published On :: Thu, 26 Feb 2015 9:23:19 GMT Citizen scientists have helped to map pollution across the Netherlands using their smartphones. Their results, produced by thousands of volunteers, are presented in a study which shows how a combination of mass participation and smartphone technology can be a powerful approach to environmental monitoring. Full Article
zen Car-free cities: healthier citizens By ec.europa.eu Published On :: Thur, 10 Nov 2016 9:23:19 GMT No cities are yet fully car-free, but many have managed or plan to restrict access to city centres for privately owned combustion-engine passenger cars. Health benefits will come from reduced traffic-related air pollution, less noise and lower levels of heat emitted from vehicles. The greatest health benefit, however, is likely to come from increased physical activity as people walk, cycle and move to catch public transport, according to a review of the potential health benefits of car-free cities. Full Article
zen CITIZEN INFORMATION MEETING TO BE HELD FOR RT. 15/17/29 WARRENTON SOUTHERN INTERCHANGE - Public invited to learn more about the project Nov. 13 at Lord Fairfax Community College By www.virginiadot.org Published On :: Tue, 30 Oct 2018 24:00:00 GMT-8 CULPEPER — The Virginia Department of Transportation invites the public to attend a citizen information meeting to learn about the upcoming project... Full Article