203 research outputs found
trans-Chloridobis(4-methylpyridine-κN)(4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)ruthenium(II) hexafluoridophosphate acetone monosolvate
The title compound, [RuCl(C6H7N)2(C27H35N3)]PF6·C3H6O, was obtained unintentionally as the product of the reaction of 1,1′-methylenebis(4-methylpyridinium) hexafluorisophosphate and RuCl3(tpy*) (tpy* is 4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine) in the presence of triethylamine and LiCl. The molecular structure of the complex displays an octahedral geometry around the RuII ion and the unit cell contains an acetone solvent molecule and one orientationally disordered PF6
− anion (occupancy ratio 0.75:0.25) which is hydrogen bonded to two H atoms of the tpy* ligand of the nearest [RuCl(pic)2(tpy*)]+ cation (pic is 4-methylpyridine). One of the tert-butyl groups of the tpy* ligand is also disordered over two sets of sites in a 0.75:0.25 ratio
Duloxetine hydrochloride
The title compound [systematic name: N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-aminium chloride], C18H20NOS+·Cl−, was crystallized from 1,4-dioxane. Twofold rotational disorder exhibited by the thiophene ring in a 0.580 (5):0.420 (5) ratio represents two different conformations of the molecule that exist in the same crystal form. The crystal structure contains strong N—H⋯Cl hydrogen bonds
Dihydromyricetin hexaacetate
In the title compound, C27H24O14, also known as 2,3-diacetoxy-5-[(2RS,3RS)-3,5,7-triacetoxy-4-oxochromen-2-yl]phenyl acetate, the heterocyclic ring adopts a distorted half-chair conformation, with two C atoms displaced by 0.1775 (16) and −0.5950 (16) Å from the mean plane of the other four atoms. The dihedral angle between the aromatic rings is 57.81 (8)°. In the crystal, the molecules interact by C—H⋯O bonds, aromatic π–π stacking [centroid–centroid separation = 3.6206 (9) Å] and C—H⋯π interactions
7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetrahydro-6α,14α-epithiocycloocta[1,2-b:5,6-b′]diquinoline deuterochloroform solvate
In the racemic title compound, C34H22Br2N2S·CDCl3, pairs of diquinoline host molecules form centrosymmetric brick-like dimers utilizing three different aryl edge-to-face interactions (EF1–3). The dimeric (EF)6 (i.e. 2 × EF1–3) building blocks pack with the deuterochloroform guest molecules positioned near each of their corners. The Cl atoms of the latter are disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio
2-Bromo-5,7-dimethoxy-4-phenylquinoline
The title compound, C17H14BrNO2, was synthesized by the treatment of 5,7-dimethoxy-4-phenylquinolin-2-one with phosphoryl bromide in a Vilsmeier-type reaction. There are two independent molecules (A and B) in the asymmetric unit which differ by 11.2° in the orientation of the 4-phenyl ring with respect to the planar quinoline ring system [dihedral angles = 55.15 (8) and 66.34 (8)° in molecules A and B, respectively]. In the crystal structure, the independent molecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming centrosymmetric tetrameric units which are cross-linked through C—H⋯π and C—Br⋯π interactions with Br⋯centroid distances of 3.4289 (8) and 3.5967 (8) Å
(3R,4S,5S,8S,10R,13R)-3-Hydroxykaura-9(11),16-dien-18-oic acid
The title compound, C20H28O3, was isolated during our investigation into the chemical composition and pharmacological activity of Centipeda cunninghamii (DC.) A. Braun & Asch. (Asteraceae). The enantiopure compound, a diterpene with a carbon skeleton, is composed of three six- and one five-membered rings in chair, twist-boat, half-chair and envelope conformations, respectively. Each molecule makes one intra- and one intermolecular O—H⋯O hydrogen bond in the crystal lattice, forming hydrogen-bonded chains along [010]. The absolute configuration of the compound was assigned on the basis of optical rotation measurements
Comparação entre diferentes equações antropométricas e a pletismografia para estimar o percentual de gordura de atletas masculinos de Taekwondo
TCC (Graduação) - Universidade Federal de Santa Catarina. Centro de Desportos. Educação Física - Bacharelado.O Taekwondo é um esporte de combate oriundo da Coréia, atualmente integrao quadro de esportes olímpicos, no qual tem suas lutas divididas por categorias de peso, que possui como principal característica os chutes, estes, que são definidos por fatores físicos e que correspondem a 98% dos gestos do combate. Por ser um esporte intermitente, solicita alta preparação física durante a competição, no qual uma luta tem duração aproximada de 8 min, e pelas mudanças ocorridas nos últimos anos, fez com que a antropometria dos atletas fosse um fator decisivo no resultado de uma luta. Pela falta de um protocolo qualificado, específico e válido para avaliar a composição corporal destes atletas, o presente estudo tem como objetivo verificar quais equações antropométricasapresenta maior correlação quando correlacionado com o método de pletismografia por deslocamento de ar para avaliação dopercentual de gordura de atletas masculinos de Taekwondo. Participaram da pesquisa 11 atletas de Taekwondo com idade entre 16 e 30 anos, que foram avaliados por meio de medidas antropométricas de dobras cutâneas, circunferências e perímetros e pelo método de referência pletismografiapor deslocamento de ar. Posteriormente analisou-se a correlação entre a pletismografia por deslocamento de ar e as equações antropométricas.Das nove equações utilizadas seis não apresentaram diferença significativa (p>0,05) com relação à pletismografiapor deslocamento de ar. Dentre estas, três equações apresentaram grande correlação e duas delas apresentaram correlação muito grande com r=914. Devido as características, Whiterset al. (1987) foi considerada a mais adequada para avaliar o %G de atletas masculinos de Taekwondo
Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers
A series of new group 2 coordination polymers, MgL ={MgL(H2O)(DMF)0.75}∞, CaL = {CaL(DMF)2}∞, SrL = {SrL(H2O)0.5}∞ and BaL = {BaL(H2O)0.5}∞, were synthesized using a flexible benzimidazolone diacetic acid linker (H2L) in which the two carboxylic acid binding sites are connected to a planar core via {–CH2–} spacers that can freely rotate in solution. In a ‘curiosity-led' diversion from group 2 metals, the first row transition metal salts Mn2+, Cu2+ and Zn2+ were also reacted with L to yield crystals of MnL = {MnL(DMF)(H2O)3.33}∞, Cu3L2 = {Cu3L2(DMF)2(CHO2)2}∞ and ZnL = {ZnL(DMF)}∞. Crystal structures were obtained for all seven materials. All structures form as two-dimensional sheets and contain six-coordinate centres, with the exception of ZnL, which displays tetrahedrally coordinated metal centres, and Cu3L2, which contains square planar coordinated metal centres and Cu paddle-wheels. In each structure, the linker adopts one of two distinct conformations, with the carboxylate groups either cis or trans with respect to the planar core. All materials were also characterized by powder X-ray diffraction and thermogravimetric analysis
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