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Olakkandiyil Prajina, Packianathan Thomas Muthiah, David K Geiger
The asymmetric unit of the title compound, 2C5H3ClO2S·C10H8N2, is comprised of a mol-ecule of 3-chloro-thio-phene-2-carb-oxy-lic acid (3TPC) and half of a mol-ecule of 4,4'-bi-pyridine (BPY). A distinctive O-H⋯N-based synthon is present. Cl⋯Cl and π-π stacking inter-actions further stabilize the crystal structure, forming a two-dimensional network parallel to the bc plane.
October 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Ammaiyappan Rajam, Packianathan Thomas Muthiah, Ray J Butcher, Matthias Zeller
In the title salt, C6H9ClN3 (+)·C6H3O4S(-), the cations and anions are linked via O-H⋯O and N-H⋯O hydrogen bonds, forming R 6 (6)(37) ring motifs that are inter-connected with each other, producing sheets. Separate parallel inversion-related sheets are linked through N-H⋯N and π-π stacking inter-actions [centroid-centroid distance = 3.5414 (13) Å], forming double layers parallel to (101). Weak C-H⋯O and C-H⋯S hydrogen bonds, as well as C-H⋯π inter-actions, connect the double layers into a three-dimensional network...
July 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Laura N F Cardoso, Thais C M Nogueira, James L Wardell, Solange M S V Wardell, Marcus V N de Souza, Mukesh M Jotani, Edward R T Tiekink
In the title carbohydrazide, C10H7N3O4S, the dihedral angle between the terminal five-membered rings is 27.4 (2)°, with these lying to the same side of the plane through the central CN2C(=O) atoms (r.m.s. deviation = 0.0403 Å), leading to a curved mol-ecule. The conformation about the C=N imine bond [1.281 (5) Å] is E, and the carbonyl O and amide H atoms are anti. In the crystal, N-H⋯O hydrogen bonds lead to supra-molecular chains, generated by a 41 screw-axis along the c direction. A three-dimensional architecture is consolidated by thienyl-C-H⋯O(nitro) and furanyl-C-H⋯O(nitro) inter-actions, as well as π-π inter-actions between the thienyl and furanyl rings [inter-centroid distance = 3...
July 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Yavuz Köysal, Hakan Bülbül, Sümeyye Gümüş, Erbil Ağar, Mustafa Serkan Soylu
The title compound, C11H6Cl2N2O2S, is a Schiff base that incorporates an N-bound 2,4-di-chloro-phenyl and a C-bound 5-nitro-thio-phene ring. The mol-ecule is approximately planar, the maximum deviation from the mean plane being 0.233 (4) Å for the C=N N atom. The dihedral angle between the benzene and thio-phene rings is 9.7 (2)°. The C=N double bond has an E configuration. The crystal structure features C-H⋯O hydrogen bonds,forming sheets parallel to (10-1), and π-π stacking inter-actions between symmetry-related thio-phene and benzene rings, in which the distance between adjacent ring centroids is 3...
August 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Kai-Hang Liu, Jian-Ming Gu, Xiu-Rong Hu, Gu-Ping Tang
There are two canagliflozin mol-ecules (A and B) and one water mol-ecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluoro-phen-yl)thio-phen-2-yl]meth-yl}-4-methylphen-yl)-6-(hy-droxy-meth-yl)-3,4,5,6-tetra-hydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methyl-benzene and thio-phene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluoro-benzene and thio-phene rings are 24.2 (6) and 20...
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Olakkandiyil Prajina, Packianathan Thomas Muthiah, Franc Perdih
In the title co-crystal, C5H3ClO2S·C13H9N, the components inter-act with each other via an O-H⋯N hydrogen bond. Acridine-acridine stacking, thio-phene-thio-phene stacking and acridine-thio-phene C-H⋯π inter-actions also occur in the crystal.
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Narsimha Reddy Penthala, Jaishankar K B Yadlapalli, Sean Parkin, Peter A Crooks
(Z)-5-[2-(Benzo[b]thio-phen-2-yl)-1-(3,5-di-meth-oxy-phen-yl)ethen-yl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-2-yl)-2-(3,5-di-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide via a [3 + 2]cyclo-addition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thio-phen-3-yl)-1-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-3-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide...
May 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Idupulapati M Rao, John W Miles, Stephen E Beebe, Walter J Horst
BACKGROUND: Plants depend on their root systems to acquire the water and nutrients necessary for their survival in nature, and for their yield and nutritional quality in agriculture. Root systems are complex and a variety of root phenes have been identified as contributors to adaptation to soils with low fertility and aluminium (Al) toxicity. Phenotypic characterization of root adaptations to infertile soils is enabling plant breeders to develop improved cultivars that not only yield more, but also contribute to yield stability and nutritional security in the face of climate variability...
June 1, 2016: Annals of Botany
Liurong Shi, Ke Chen, Ran Du, Alicja Bachmatiuk, Mark Hermann Rümmeli, Kongwei Xie, Youyuan Huang, Yanfeng Zhang, Zhongfan Liu
A seashell-based CVD technique for preparing three-dimensional (3D) graphene foams is reported. The graphene sheets in thus-obtained foams are seamlessly interconnected into a 3D flexible network, forming highly porous materials with negligible non-carbon impurities, ultralow density, and outstanding mechanical flexibility and electrical conductivity. These 3D graphene foams demonstrate a fast adsorption performance toward various oils and organic solvents, with adsorption capacity up to 250-fold weight gain...
May 25, 2016: Journal of the American Chemical Society
Fateh Rahimi
BACKGROUND: Methicillin-resistant Staphylococcus aureus (MRSA) is one of the most common nosocomial pathogens which can cause a broad spectrum of infections. OBJECTIVES: The current study aimed to describe the frequency and antibiotic susceptibility patterns of clonal groups of gentamicin-resistant strains of MRSA isolated from a tertiary care hospital in Tehran, Iran. MATERIALS AND METHODS: A total of 301 S. aureus isolates were collected during January to November 2012...
January 2016: Jundishapur Journal of Microbiology
Larry M York, Moshe Silberbush, Jonathan P Lynch
Increasing maize nitrogen acquisition efficiency is a major goal for the 21st century. Nitrate uptake kinetics (NUK) are defined by I max and K m, which denote the maximum uptake rate and the affinity of transporters, respectively. Because NUK have been studied predominantly at the molecular and whole-root system levels, little is known about the functional importance of NUK variation within root systems. A novel method was created to measure NUK of root segments that demonstrated variation in NUK among root classes (seminal, lateral, crown, and brace)...
June 2016: Journal of Experimental Botany
Guadalupe Hernández-Téllez, Sylvain Bernès, Angel Mendoza, Francisco Javier Ríos-Merino, Gloria E Moreno, Oscar Portillo, René Gutiérrez
A series of thio-phenes substituted in positions 2 and 5 by imine groups have been synthesized using a solvent-free approach, and their crystal structures determined. The substituents are chiral groups, and the expected absolute configuration for each mol-ecule was confirmed by refinement of the Flack parameter. The compounds are 2,5-bis-[(S)-(+)-(1,2,3,4-tetra-hydro-naphthalen-1-yl)imino]-thio-phene, C26H26N2S, (I), 2,5-bis-{[(R)-(-)-1-(4-meth-oxy-phen-yl)eth-yl]imino-meth-yl}thio-phene, C24H26N2O2S, (II), 2,5-bis-{[(R)-(-)-1-(4-fluoro-phen-yl)eth-yl]imino-meth-yl}thio-phene, C22H20F2N2S, (III), and 2,5-bis-{[(S)-(+)-1-(4-chloro-phen-yl)eth-yl]imino-meth-yl}thio-phene, C22H20Cl2N2S, (IV)...
March 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Monirah A Al-Alshaikh, Hatem A Abuelizz, Ali A El-Emam, Mohammed S M Abdelbaky, Santiago Garcia-Granda
The title compound, C18H20N4O2S2, is a new 1,3,4-oxa-diazole and a key pharmacophore of several biologically active agents. It is composed of a meth-yl(thio-phen-2-yl)-1,3,4-oxa-diazole-2(3H)-thione moiety linked to a 2-meth-oxy-phenyl unit via a piperazine ring that has a chair conformation. The thio-phene ring mean plane lies almost in the plane of the oxa-diazole ring, with a dihedral angle of 4.35 (9)°. The 2-meth-oxy-phenyl ring is almost normal to the oxa-diazole ring, with a dihedral angle of 84.17 (10)°...
February 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
C Nithya, M Sithambaresan, M R Prathapachandra Kurup
The title compounds, C15H12Br2OS2, (I), and C20H15BrOS, (II), were synthesized by employing Claisen-Schmidt condensation of pentan-3-one and di-benzyl-acetone with 5-bromo-thio-phene-2-carbaldehyde in the presence of methano-lic KOH. Even though 1:2 products were expected in both of the reactions, 1:2 and 1:1 products were obtained as (I) and (II), respectively. In (I), the two methyl groups are trans to each other, 29.5 (7) and 28.7 (7)° away from the central carbonyl bond between them, whereas the two phenyl rings of di-benzyl-acetone subtend a dihedral angle of 53...
February 1, 2016: Acta Crystallographica. Section E, Crystallographic Communications
Steffen Illig, Alexander S Eggeman, Alessandro Troisi, Lang Jiang, Chris Warwick, Mark Nikolka, Guillaume Schweicher, Stephen G Yeates, Yves Henri Geerts, John E Anthony, Henning Sirringhaus
Thermal vibrations and the dynamic disorder they create can detrimentally affect the transport properties of van der Waals bonded molecular semiconductors. The low-energy nature of these vibrations makes it difficult to access them experimentally, which is why we still lack clear molecular design rules to control and reduce dynamic disorder. In this study we discuss the promising organic semiconductors rubrene, 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothio-phene and 2,9-di-decyl-dinaphtho-[2,3-b:20,30-f]-thieno-[3,2-b]-thiophene in terms of an exceptionally low degree of dynamic disorder...
2016: Nature Communications
Bianca X Valderrama-García, Reyna Reyes-Martínez, Simón Hernández-Ortega, David Morales-Morales, Ernesto Rivera
In the title compound, C23H16O2S, the thio-phene group is rotationally disordered into two fractions almost parallel to each other, with occupation factors of 0.523 (7) and 0.477 (7), and subtending dihedral angles of 10.5 (5) and 9.3 (5)°, respectively, to the thio-phene group. The mol-ecules are held together by weak C-H⋯O and C-H⋯π hydrogen bonds, producing a laminar arrangement, which are further connected in a perpendicular fashion by S⋯π contacts [S⋯centroid = 3.539 (8) and 3.497 (8) Å]...
December 1, 2015: Acta Crystallographica. Section E, Crystallographic Communications
M S Krishnamurthy, N L Prasad, H Nagarajaiah, Noor Shahina Begum
In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005 Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92 (18)° with the thio-phene ring. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R (2) 2(14) loops...
December 1, 2015: Acta Crystallographica. Section E, Crystallographic Communications
Vijayan Viswanathan, Shanmugavel Bharkavi, Subbu Perumal, Devadasan Velmurugan
In the title compounds 4,11-dihy-droxy-13-methyl-1,8-di-p-tolyl-2,9-di-thia-13- aza-dispiro-[4.1.4(7).3(5)]tetra-decan-6-one, C26H31NO3S2, (I), and 13-benzyl-4,11-dihy-droxy-1,8-bis-(4-methyl-phen-yl)-2,9-di-thia-13-aza-dispiro-[4.1.4(7).3(5)]tetradecan-6-one, C32H35NO3S2, (II), the piperidine rings adopt distorted chair conformations. The thio-phene rings in (I) have envelope conformations, with the spiro C atoms as the flaps. In (II), one thio-phene ring (D) has an envelope conformation, with the hy-droxy-substituted C atom as the flap, while the other thio-phene ring (E) has a twisted conformation on the C-C bond involving the spiro C atom and the toluyl-substituted C atom...
December 1, 2015: Acta Crystallographica. Section E, Crystallographic Communications
Jie Yin, Huawei Zhou, Zhicheng Liu, Zhonghao Nie, Yinhao Li, Xuan Qi, Baoli Chen, Yingtian Zhang, Xianxi Zhang
The scarcity and noble indium and platinum (Pt) are important elements in photoelectric nanomaterials. Therefore, development of low cost alternative materials to meet different practical applications is an urgent need. Two-dimensional (2D) layered graphene (GE) with unique physical, mechanical, and electrical properties has recently drawn a great deal of attention in various optoelectronic fields. Herein, the large scale (21 cm × 15 cm) high-quality single layer graphene (SLG) and multilayer graphene on a flexible plastic substrate PET were controllably prepared through layer-by-layer (LBL) transfer using the thermal release adhesive transfer method (TRA-TM)...
March 2, 2016: ACS Applied Materials & Interfaces
Mahdi Rohani, Nasrin Noohi, Malihe Talebi, Mohammad Katouli, Mohammad R Pourshafie
BACKGROUND: Lactic acid bacteria (LAB) have been considered as potentially probiotic organisms due to their potential human health properties. This study aimed to evaluate both in vitro and in vivo, the potential probiotic properties of Lactobacillus species isolated from fecal samples of healthy humans in Iran. METHODS AND RESULTS: A total of 470 LAB were initially isolated from 53 healthy individual and characterized to species level. Of these, 88 (86%) were Lactobacillus species...
2015: PloS One
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