keyword
MENU ▼
Read by QxMD icon Read
search

Phene

keyword
https://www.readbyqxmd.com/read/29416890/crystal-structure-of-s-5-chloro-n-2-oxo-3-4-3-oxomorpholin-4-yl-phen-yl-oxazolidin-5-yl-meth-yl-thio-phene-2-carboxamide
#1
Jie Shen, Gu-Ping Tang, Xiu-Rong Hu
The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban mol-ecules with different conformations; the C-C-N-C torsion angles between the oxazolidine and thio-phene rings are -171.1 (7) and -106.8 (9)° in the two independent mol-ecules. In the crystal, classical N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular architecture.
January 1, 2018: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29401394/formation-of-supported-graphene-oxide-evidence-for-enolate-species
#2
Zbynek Novotny, Manh-Thuong Nguyen, Falko P Netzer, Vassiliki-Alexandra Glezakou, Roger Rousseau, Zdenek Dohnalek
Graphene oxides are promising materials for novel electronic devices or anchoring of the active sites for catalytic ap-plications. Here we focus on understanding the atomic oxygen (AO) binding and mobility on different regions of gra-phene (Gr) on Ru(0001). Differences in the Gr/Ru lattices result in the superstructure, which offers an array of distinct adsorption sites. We employ scanning tunneling microscopy and density functional theory to map out the chemical identity and stability of prepared AO functionalities in different Gr regions...
February 5, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29310438/revealing-the-physico-chemical-basis-of-organic-solid-solid-wetting-deposition-casimir-like-forces-hydrophobic-collapse-and-the-role-of-the-zeta-potential
#3
Alexander Eberle, Thomas Markert, Frank Trixler
Supramolecular self-assembly at the solid-solid interface enables the deposition and monolayer formation of insolu-ble organic semiconductors under ambient conditions. The underlying process, termed as the Organic Solid-Solid Wetting Deposition (OSWD), generates two-dimensional adsorbates directly from dispersed three-dimensional or-ganic crystals. This straightforward process has important implications in various fields of research and technology, such as in the domains of low-dimensional crystal engineering, the chemical doping and band-gap engineering of gra-phene, and in the area of field-effect transistor fabrication...
January 9, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29261306/control-of-chain-walking-by-weak-neighbouring-group-interac-tions-in-unsymmetric-catalysts
#4
Laura Falivene, Thomas Wiedemann, Inigo Göttker-Schnetmann, Lucia Caporaso, Luigi Cavallo, Stefan Mecking
A combined theoretical and experimental study shows how weak attractive interactions of a neighbouring group can strongly promote chain walking and chain transfer. This accounts for the previously observed very different micro-structures obtained in ethylene polymerization by [κ<sup>2-N,O-{(2,6-(3',5'-R2C6H3)2C6H3-N=C(H)-(3,5-X,Y2-2-O-C6H2)}]NiCH3(pyridine)], namely hyperbranched oligomers for remote substituents R = CH3 versus. high molecular weight polyethylene for R = CF3. From a full mechanistic consideration the alkyl olefin complex with the growing chain cis to the salicylaldiminato oxygen donor is identified as the key species...
December 20, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29250381/crystal-structure-of-a-new-polymorph-of-di-thio-phen-3-yl-ketone
#5
Jörg Hübscher, André U Augustin, Wilhelm Seichter, Edwin Weber
The crystal structure of the title compound, C9H6OS2, represents a new polymorph. The crystal structure was solved in the ortho-rhom-bic space group Pbcn with one half of the mol-ecule in the asymmetric unit. The thio-phene rings are perfectly planar and twisted with respect to each other, showing the mol-ecule to be in an S,O-trans/S,O-trans conformation. In the crystal, C-H⋯O hydrogen bonds connect the mol-ecules into layers extending parallel to the ab plane. The crystal structure also features π-π inter-actions...
October 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29152342/green-synthesis-and-crystal-structure-of-3-benzo-thia-zol-2-yl-thio-phene
#6
Linh Nguyen Ngoc, Trung Vu Quoc, Hoan Duong Quoc, Manh Vu Quoc, Luong Truong Minh, Chien Thang Pham, Luc Van Meervelt
The title compound, C11H7NS2, was prepared in high yield (87%) using a solvent-free microwave-assisted synthesis. The structure shows whole-mol-ecule disorder with occupancies for two orientations (A and B) of 0.4884 (10) and 0.5116 (10), respectively. The thio-phene and benzo-thia-zole rings are almost planar and make dihedral angles of 10.02 (18) and 12.54 (19)° for orientations A and B, respectively. Slipped π-π stacking between the aromatic rings, together with C-H⋯π, C-H⋯S and C-H⋯N inter-actions, result in a herringbone motif in the crystal packing...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29152340/crystal-structures-and-hirshfeld-surfaces-of-differently-substituted-e-n-benzyl-idene-n-methyl-2-thio-phen-2-yl-acetohydrazides
#7
Laura N F Cardoso, Thais C M Noguiera, Carlos R Kaiser, James L Wardell, Marcus V N de Souza, William T A Harrison
The syntheses and crystal structures of (E)-N'-(3-cyano-benzyl-idene)-N-methyl-2-(thio-phen-2-yl)acetohydrazide, C15H13N3OS, (I), and (E)-N'-(4-meth-oxy-benzyl-idene)-N-methyl-2-(thio-phen-2-yl)acetohydrazide, C15H16N2O2S, (II), with different substituents in the meta and para position of the benzene ring are described. Compounds (I) and (II) both crystallize with two mol-ecules in the asymmetric unit, with generally similar conformations [r.m.s. overlay fits for (I) and (II) of 0.334 and 0.280 Å, respectively] that approximate to L-shapes...
November 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/29057644/ultradispersed-and-single-layered-mos2-nanoflakes-strongly-coupled-with-graphene-an-optimized-structure-with-high-kinetics-for-the-hydrogen-evolution-reaction
#8
Haoliang Huang, Junying Huang, Weipeng Liu, Yueping Fang, Yingju Liu
As one of the most promising Pt alternatives for cost-effective hydrogen production, molybdenum disulfide (MoS2), although has been studied extensively to improve its electrocatalytic activity, suffers from scarce active sites, low conductivity, and lack of interaction with substrates. To this end, we anchor ultradispersed and single-layered MoS2 nanoflakes on graphene sheets via a hybrid intermediate (MoOx-cysteine-graphene oxide), which not only confines the subsequent growth of MoS2 on the graphene surface but also ensures the intimate interaction between Mo species and graphene at the initial stage...
October 31, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29018159/phenomics-of-root-system-architecture-measuring-and-analyzing-root-phenes-by-larry-york-and-guillaume-lobet
#9
(no author information available yet)
Summaryplantcell;29/9/tpc.117.tt0917/FIG1F1fig1One of roots' key roles is to secure access to water and nutrients for the plant, often in a highly heterogeneous and challenging environment. To cope with such function, root systems have evolved as highly plastic, responsive and diverse organs. However, due to technical constraints, root research has long been stuck in its infancy. This teaching tool discusses the relatively young field of root system architecture quantification. It introduces the concepts of phenes (like genes, but referring to the phenotype), and architectural concepts including morphology, geometry, and topology...
September 2017: Plant Cell
https://www.readbyqxmd.com/read/28985065/the-origin-of-chalcogen-bonding-interactions
#10
Dominic J Pascoe, Kenneth B Ling, Scott L Cockroft
Favorable molecular interactions between group 16 elements have been implicated in catalysis, biological processes, and materials and medicinal chemistry. Such interactions have since become known as chalcogen bonds by analogy to hydrogen and halogen bonds. Although the prevalence and applications of chalcogen-bonding interactions continues to develop, debate still surrounds the energetic significance and physicochemical origins of this class of σ-hole interaction. Here, synthetic molecular balances were used to perform a quantitative experimental investigation of chalcogen-bonding interactions...
October 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28932482/crystal-structure-of-4-amino-3-thio-phen-3-ylmeth-yl-1h-1-2-4-triazole-5-4h-thione
#11
Trung Vu Quoc, Linh Nguyen Ngoc, Vy Do Truc, Linh Duong Khanh, Hung Ha Manh, Chien Thang Pham, Luc Van Meervelt
In the title compound, C7H8N4S2, the thio-phene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs R2(2)(8) and R2(2)(10), are formed by N-H⋯S inter-actions. Chains of mol-ecules running in the [101] direction are linked by weaker N-H⋯N inter-actions...
September 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28638655/crystal-structure-of-n-4-oxo-2-sulfanyl-idene-1-3-thia-zolidin-3-yl-2-thio-phen-3-yl-acetamide
#12
Trung Vu Quoc, Linh Nguyen Ngoc, Cong Nguyen Tien, Chien Thang Pham, Luc Van Meervelt
The title compound, C9H8N2O2S3, crystallizes with two mol-ecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N-H⋯O hydrogen bond. In both mol-ecules, the thio-phene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for mol-ecule A, and 0.7916 (19) and 0.2084 (19) for mol-ecule B. The five-membered rings make an angle of 79.7 (2)° in mol-ecule A and an angle of 66.8 (2)° in mol-ecule B...
June 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28466637/on-chip-evaluation-of-dna-methylation-with-electrochemical-combined-bisulfite-restriction-analysis-utilizing-a-carbon-film-containing-a-nanocrystalline-structure
#13
Ryoji Kurita, Hiroyuki Yanagisawa, Tomoyuki Kamata, Dai Kato, Osamu Niwa
This paper reports an on-chip electrochemical assessment of the DNA methylation status in genomic DNA on a conductive nanocarbon film electrode realized with combined bisulfite restriction analysis (COBRA). The film electrode consists of sp(2) and sp(3) hybrid bonds and is fabricated with an unbalanced magnetron (UBM) sputtering method. First, we studied the effect of the sp(2)/sp(3) ratio of the UBM nanocarbon film electrode with p-aminophenol, which is a major electro-active product of the labeling enzyme from p-aminophenol phosphate...
June 6, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28435701/crystal-structure-of-2e-3-4-di-methyl-amino-phen-yl-1-thio-phen-2-yl-prop-2-en-1-one
#14
Gabriela Porto de Oliveira, Leandro Bresolin, Darlene Correia Flores, Renan Lira de Farias, Adriano Bof de Oliveira
The equimolar reaction between 4-(di-methyl-amino)-benzaldehyde and 2-acetyl-thio-phene in basic ethano-lic solution yields the title compound, C15H15NOS, whose mol-ecular structure matches the asymmetric unit. The mol-ecule is not planar, the dihedral angle between the aromatic and the thio-phene rings being 11.4 (2)°. In the crystal, mol-ecules are linked by C-H⋯O and weak C-H⋯S inter-actions along [100], forming R2(2) (8) rings, and by weak C-H⋯O inter-actions along [010], forming chains with a C(6) graph-set motif...
April 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28316813/crystal-structure-of-poly-aqua-%C3%AE-2-3-di-hydro-thieno-3-4-b-1-4-dioxine-5-7-di-carboxyl-ato-%C3%AE%C2%BA-2-o-5-o-7-%C3%AE-di-pyridin-4-yl-sulfane-%C3%AE%C2%BA-2-n-n-zinc-0-26-hydrate
#15
Wen-Liang Wu, Bing Hu
The crystal structure of the title polymer, {[Zn(C8H4O6S)(C10H8N2S)(H2O)]·0.26H2O} n , is characterized by a layered arrangement parallel to the ab plane. The zinc cation is five-coordinated in a slightly distorted trigonal-bipyramidal coordination environment defined by two pyridine ligands, two carboxyl-ate groups of two thio-phene di-carboxyl-ate ligands, and by one water mol-ecule. The ethyl-ene bridge in the dioxine ligand is disordered over two sets of sites [occupancy ratio 0.624 (9):0.376 (9)]...
March 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28217337/crystal-structures-of-three-1-oxo-1-2-di-hydro-naphthalene-derivatives-dimethyl-4-4-meth-oxy-phen-yl-2-4-methyl-phen-yl-1-oxo-1-2-di-hydro-naphthalene-2-3-di-carboxyl-ate-dimethyl-1-oxo-2-pyren-4-yl-4-thio-phen-2-yl-1-2-di-hydro-naphthalene-2-3-di-carboxyl
#16
S Gopinath, P Narayanan, K Sethusankar, Jeyachandran Karunakaran, Meganathan Nandakumar, Arasambattu K Mohanakrishnan
In the title 1-oxo-1,2-di-hydro-naphthalene derivatives, C28H24O6, (I), C34H22O5S, (II), and C27H20O3S2, (III), the cyclo-hexa-1,3-diene rings of the 1,2-di-hydro-naphthalene ring systems adopt half-chair, boat and half-chair conformations, respectively. The carbonyl O atoms attached to the di-hydro-naphthalene ring systems are each significantly deviated from the mean plane of the 1,2-di-hydro-naphthalene ring system, by 0.6162 (12) Å in (I), 0.6016 (16) Å in (II) and 0.515 (3) Å in (III). The mean planes of the 1,2-di-hydro-naphthalene ring systems make dihedral angles of 85...
February 1, 2017: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/28106362/dibenzothiophene-s-s-dioxide-and-bispyridinium-based-cationic-polyfluorene-derivative-as-an-efficient-cathode-modifier-for-polymer-solar-cells
#17
Guiting Chen, Sha Liu, Jin Xu, Ruifeng He, Zhicai He, Hong-Bin Wu, Wei Yang, Bin Zhang, Yong Cao
A novel n-type conjugated polymer containing dibenzothiophene-S,S-dioxide (FSO), bispyridinium, and fluorene scaffolds in the backbone (PFSOPyCl) was synthesized and used in the cathode interfacial layers (CILs) of conventional polymer solar cells (PSCs). The high electron affinities and large planar structures of the FSO and bispyridinium units endowed this polymer with good energy level alignments with [6,6]-phenyl-C71 butyric acid methyl ester (PC71BM) and metal cathode, and excellent electron transport and extraction properties...
January 30, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/27980820/crystal-structures-of-two-new-carbazole-derivatives-12-4-nitro-phen-yl-7-phenyl-sulfonyl-7h-benzofuro-2-3-b-carbazole-and-2-methyl-4-4-nitro-phen-yl-9-phenyl-sulfonyl-9h-thieno-2-3-b-carbazole
#18
K Swaminathan, P Narayanan, K Sethusankar, Velu Saravanan, Arasambattu K Mohanakrishnan
The title compounds, C30H18N2O5S, (I), and C27H18N2O4S2, (II), are carbazole derivatives with a phenyl-sulfonyl group and a nitro-phenyl group attached to the carbazole moiety in identical positions in both mol-ecules. A benzo-furan ring system in (I) and a methyl-thio-phene ring in (II) are fused with the respective carbazole moieties on the same sides. The mean plane of the carbazole ring system makes a dihedral angle of 3.17 (7)° with the benzo-furan ring system in (I) and a dihedral angle of 3.39 (11)° with the methyl-thio-phene ring in (II), implying that both fused units are essentially planar...
December 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920924/crystal-structure-of-6-p-tol-yl-benzo-b-naphtho-2-3-d-thio-phene-and-of-an-ortho-rhom-bic-polymorph-of-7-phenyl-anthra-2-3-b-benzo-d-thio-phene
#19
S Gopinath, K Sethusankar, Helen Stoeckli-Evans, Muhamad Rafiq, Arasambattu K Mohanakrishnan
The title compounds, C23H16S, (I), and C26H16S, (II), are benzo-thio-phene derivatives in which the benzo-thio-phene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzo-thio-phene ring system makes a dihedral angle of 2.28 (6)° with the naphthalene ring system, and a dihedral angle of 1.28 (6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methyl-benzene ring substituent makes a dihedral angle of 71...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
https://www.readbyqxmd.com/read/27920923/mer-tri-chlorido-tris-tetra-hydro-thio-phene-%C3%AE%C2%BAs-iridium-iii-preparation-and-comparison-with-other-mer-tri-chlorido-tris-tetra-hydro-thio-phene-%C3%AE%C2%BAs-metal-complexes
#20
Loren C Brown, Christine M DuChane, Joseph S Merola
The title complex, [IrCl3(C4H8S)3], was prepared according to a literature method. A suitable crystal was obtained by diffusion of pentane into a di-chloro-methane solution and analyzed by single-crystal X-ray diffraction at 100 K. The title complex is isotypic with mer-tri-chlorido-tris-(tetra-hydro-thio-phene-κS)rhodium(III). However, the orientation of the tetra-hydro-thio-phene rings is different from an earlier report of mer-tri-chlorido-tris-(tetra-hydro-thio-phene-κS)iridium(III) deposited in the Cambridge Structural Database...
September 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
keyword
keyword
96930
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"