1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline

In the title molecule, C22H21N3, the isoquinoline ring is almost planar maximum deviation = 0.046 (1) A] and makes dihedral angles of 52.01 (4) and 14.61 (4)degrees with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)degrees with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intramolecular C-H...N contact may influence the molecular conformation. The crystal structure is stabilized by C-H...pi contacts involving the phenyl and pyrazole rings, and by pi-pi stacking interactions involving the pyridine and benzene rings centroid-centroid distance = 3.5972 (10) A].

Novel coordination behaviour of gem-bis (pyrazolyl) cyclotriphosphazenes as tridentate NNN-donor ligands: The crystal structure of [Mo(CO)3{N3P3Ph4(3,5-Me2C3HN2)2}]

Reactions of group 6 metal carbonyls with bis(pyrazolyl) phosphazenes yield metal tricarbonyl complexes, [M(CO)3.L] [L = N3P3Ph4 (3, 5-Me2C3HN2)2 (1) or N3P3(MeNCH2CH2O)2 (3,5-Me2C3HN2)2(4)]. The structure of the complex [Mo(CO)3.1], determined by single-crystal X-ray analysis, shows that the (pyrazolyl) phosphazene acts as a tridentate ligand; the two pyridinic pyrazolyl nitrogen atoms and a phosphazene ring nitrogen atom are coordinated to the metal. A similar structure is proposed for the complexes [M(CO)3.4] (M = Mo or W] on the basis of their spectroscopic data.

Microwave spectrum and structure of C(6)H(5)CCH center dot center dot center dot H(2)S complex

Rotational spectra of C(6)H(5)CCH center dot center dot center dot H(2)S, C(6)H(5)CCH center dot center dot center dot H(2)(34)S, C(6)H(5)CCH center dot center dot center dot HDS, C(6)H(5)CCH center dot center dot center dot D(2)S and C(6) H(5)CCD center dot center dot center dot H(2)S complexes have been observed using a pulsed nozzle Fourier transform microwave spectrometer. The observed spectrum is consistent with a structure in which hydrogen sulfide is located over the phenyl ring pi cloud and the distance between the centers of masses of the two monomers is 3.74 +/- 0.01 angstrom. In the complex, the H(2)S unit is shifted from the phenyl ring center towards the acetylene group. The vibrationally averaged structure has an effective Cs symmetry. Ab initio calculations were performed at MP2/aug-cc-pVDZ level of theory to locate the possible geometries of the complex. The calculations reveal the experimentally observed structure to be more stable than a coplanar arrangement of the monomers, which was observed for the C(6)H(5)CCH center dot center dot center dot H(2)O complex. Atoms in molecule theoretical analysis shows the presence of S-H center dot center dot center dot pi hydrogen bond. For the parent isotopologue, each transition frequency was found to split into two resulting from an interchange of the equivalent hydrogens of H(2)S unit in the complex. (C) 2011 Elsevier Inc. All rights reserved.

Rearing cyprinid fry in cages [conclusions only] [Translation from: Gospodarka rybna, Warszawa 27(8/9) 3-5, 1975]

This short translation presents the conclusions only of a study of the proposed method of rearing cyprinid fry in cages and how this method can increase the amount of material produced of the stocked fry.

3,5-二甲基吡唑的硝化抑制效果

本文采用室内培养、盆栽和田间试验相结合的方法，对3,5-二甲基吡唑的硝化抑制效果进行了初步探讨。结果表明，3,5-二甲基吡唑（DMP）的施用可以显著抑制土壤硝化作用的进行，其抑制效果受其本身用量及氮素用量的影响显著。但在常规氮施用量下，占纯氮量1.0%的DMP即可以起到显著的硝化抑制效果。在等N量和等抑制剂用量下，DMP的抑制效果显著优于双氰胺，而与3,4-二甲基吡唑磷酸盐效果相当。 对与氮转化有关的土壤酶活性影响结果表明，DMP只在施用后1～2天内对土壤脲酶活性具有短暂的抑制作用，但可较长时间显著抑制土壤硝酸还原酶活性，提高土壤亚硝酸还原酶活性。由于DMP的施用对土壤或肥料氮转化的有效调控，促进了作物对氮素的吸收累积，在生育期较长的水稻上效果更加显著。与对照相比，氮肥表观利用率提高了12.51%，水稻籽粒粗蛋白含量提高了6.24%。同时由于DMP的施用使土壤硝氮累积量显著降低，因此，土壤酸化程度及硝酸盐向土体下层的淋移趋势明显减缓。 对DMP施用后土壤微生物群落动态及微生物活性的研究结果表明，适量DMP的施用不会对表征土壤环境质量变化的土壤生物化学特性产生负面影响，而是通过专性抑制土壤氨氧化菌群落的增殖来实现其硝化抑制作用的，且对参与土壤氮素转化的亚硝酸氧化细菌和反硝化细菌影响很小。因此，DMP将是未来一种具有一定发展前景的土壤硝化作用的专一性抑制剂。

3,5-二甲基吡唑对铵态氮硝化及作物生长的影响

采用室内培养试验和盆栽试验相结合的方法,以春小麦和水稻为供试作物,初步探讨不同用量的3,5-二甲基吡唑(DMP)对土壤铵态氮硝化、作物产量及氮素利用的影响。结果表明,在本试验条件下,施用占尿素N量0.6%1~.0%的DMP(折合0.80~.9μg/g,干土),可显著抑制土壤硝化作用的进行,其抑制效应随抑制剂用量的增加逐渐增强。与对照单施尿素相比,施用1.0%DMP可使土壤NH4+-N含量提高30%以上,NO3--N含量降低20%左右。施用占尿素N量0.8%1~.0%的DMP对春小麦产量影响不大,但能显著提高水稻产量和两种作物的氮肥表观利用率,促进植株体内的氮素向子粒中的转移。与等量DCD(双氰胺)比较,DMP处理的水稻子粒粗蛋白含量和氮肥表观利用率显著提高,但产量差异不显著。

3,5-二甲基吡唑磷酸盐(DMPZP)对土壤硝化作用的影响

采用好气培养法,以双氰胺(DCD)为参比对象研究了新型吡唑类硝化抑制剂3,5-二甲基吡唑磷酸盐(DMPZP)对土壤硝化作用的影响.结果表明,DMPZP对土壤中的铵氧化作用有较强的抑制效果,在施用量为1.0%(纯N含量)时能显著提高土壤中的NH4+-N浓度,降低NO3--N浓度.DMPZP的硝化抑制效应随用量的增加而增强,相同质量的DMPZP的硝化抑制效果不及DCD,而DCD又不及2倍质量的DMPZP,但等摩尔数(物质量)的DMPZP硝化抑制效果明显优于DCD.DMPZP在施用后的第7天至第14天的硝化抑制作用最强,与不添加抑制剂的处理相比,DMPZP添加量为1.0%和2.0%(纯N含量)时的表观硝化率在第7天和第14天分别降低了29.3%、41.7%和18.6%、34.3%;在此期间,添加DMPZP处理的硝化抑制率均高于30%.DMPZP的施用还可减缓土壤pH的降低速率,但施用DMPZP和DCD对土壤pH的影响差异不显著.

Facile shape-controlled synthesis of luminescent europium benzene-1,3,5-tricarboxylate architectures at room temperature

The large-scale synthesis of the metal-organic framework Eu(1,3,5-BTC)center dot 6H(2)O nanocrystallites with delicate morphologies such as sheaflike, butterflylike, and flowerlike superstructures composed of nanowires have been realized via a simple solution phase method at room temperature. Time-dependent experiments indicate that these superstructures were constructed by the splitting crystal growth mechanism, as has been noted in some minerals in nature. The synthetic parameters such as reaction time, concentration and molar ratio of reactants, surfactant, and reaction temperature all affected the morphology of the Eu(1,3,5-BTC)center dot 6H(2)O architectures. These well-arranged architectures exhibit red emission corresponding to the D-5(0) -> F-7(2) transition of the Eu3+ ions under UV light excitation, and the lifetime is determined to be about 0.22 ms.

Coordination-Induced Formation of One-Dimensional Nanostructures of Europium Benzene-1,3,5-tricarboxylate and Its Solid-State Thermal Transformation

Novel one-dimensional europium benzene-1,3,5-tricarboxylate compressed nanorods have been synthesized oil it large scale through direct precipitation in solution phase under moderate conditions without the assistance of any surfactant, catalyst, or template. The obtained nanorods have widths of about 50-100 not, thicknesses of 10-20 nm, and lengths ranging from a few hundred nanometers to several micrometers. X-ray powder diffraction. elemental analysis, Fourier transform infrared Studies, and thermogravimetric and differential thermal analysis show that the nanorods have the structural formula of Eu(1,3,5-BTC)center dot 6H(2)O. Upon UV excitation, these nanorods exhibit a highly efficient luminescence. which comes from the Eu3+ ions. Moreover, Eu2O3 nanorods Could also be obtained via a thermal decomposition method using the corresponding complex as a precursor. This synthetic route is promising for the preparation of other one-dimensional crystalline nanomaterials because of its simplicity and the low cost of the starting reagents.

New process for the preparation of 3,5-dihydroxy-1-pentylbenzene

A new process for the preparation of 3,5-dihydroxy-1-pentylbenzene, which is used as medicinal intermediate and raw material for the synthesis of HIV restrainer, is proposed in this paper. Technical 3,5-dimethoxybenzoic acid reacted with lithium hydride to form a salt (I) which acylated n-butyllithium directly to give 1-(3,5-dimethoxyphenyl)-1-pentanone (II) in 85.06% yield. Then (II) was reduced through a Wolff-K-Huangminglong reaction at 210 degrees C to give 3,5-dimethoxy-1-pentylbenzene (III). Finally, (III) refluxed with melt pyridine hydrochloride at 200 degrees C for 2 h to afford the target product 3,5-dihydroxy-1-pentylbenzene (IV). The total yield of (IV) amounted to 61.50% and its mass percentage was 98.22%. The products were characterized by means of IR, H-1-NMR, GC and HLPC-MS. The results indicated that this synthetic route was feasible, characterized by simple process and higher yield, and superior to the published ones.

Catena-Poly[[[tetra-mu(2)-aqua-heptaaqua-(mu(2)-benzene-1,3,5-tricarboxylato)-mu(3)-hydroxido-trinickel(II)sodium]-mu(4)-benzene-1,3,5-tricarboxylato]sesqui-hydrate]

The title coordination polymer, {[Ni3Na(OH)(C9H3O6)(2)( H2O)(11)] center dot 1.5H(2)O}(n), is built up from three independent Ni-II ions and one Na-I cation bridged by benzene-2,4,6-tricarboxylate ( BTC) ligands and water molecules. Three Ni-II ions are bridged by three bidentate carboxylate groups of three BTC ligands, two aqua ligands and one OH- unit, to form a trinuclear metal cluster. The Na-I cation is bonded to the Ni-II cluster by two bridging water molecules. One of the three BTC ligands bridges neighbouring clusters into one-dimensional chains, which are further connected through a complex hydrogen-bonding scheme, forming a three-dimensional suprastructure. The title complex is isomorphous with the previously reported Co-II complex.

Bis(2,3,5-triphenyltetrazolium) tetrachloridocadmate(II)

The title compound, ( C19H15N4)(2)[ CdCl4], a salt comprising two 2,3,5-triphenyl-substituted tetrazolium cations and a tetrachloridocadmate(II) anion, was synthesized by hydrothermal methods. In the anion, the Cd-II ion is tetrahedrally coordinated by four chloride anions. In the crystal structure, four cations and two anions pack into inversion-related subunits linked by C-H center dot center dot center dot Cl and offset pi-stacking interactions.Each of these subunits is surrounded by six others. Intermolecular pi-pi stacking interactions between phenyl rings are observed along the a axis, with perpendicular distances between the ring planes of 3.6015 and 3.6934 angstrom.

Low temperature X-ray structures of two crystalline forms (I) and (II) of the pyrimidine derivative and sodium channel blocker BW1003C87: 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine

The X-ray crystal structures of two crystalline forms of 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine, C10H7Cl3N4 (code name BW1003C87) (I) and (II), have been carried out at liquid nitrogen temperature. A detailed comparison of the two structures is given. Both are centrosymmetric, with structure (I) in the triclinic space group P (1) over bar unit cell a = 6.4870(10), b = 9.216(2), c = 12.016(2) angstrom, alpha = 75.78(3)degrees, beta = 89.95(3)degrees, gamma = 83.45(3)degrees, V = 691.5(2) angstrom(3), Z = 2 and density (calculated) = 1.544 Mg/m(3); and (II) in the monoclinic space group P2(1)/c, unit cell a = 12.000(2), b = 7.518(2), c = 13.450(3) angstrom, beta = 97.87(3)degrees, V = 1202.0(5) angstrom(3), Z = 4, Density (calculated) = 1.600 Mg/m(3). Structure (I) includes a solvated CH3OH in the lattice. Final R indices [I > 2sigma(I)] are R1 = 0.0427, wR2 = 0.1075 for (I) and R1 = 0.0487, wR2 = 0.1222 for (II). R indices (all data) are R1 = 0.0470, wR2 = 0.1118 for (I) and R1 = 0.0623, wR2 = 0.1299 for (II). 5-Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. Both lamotrigine and 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine (code name BW1003C87), the subject of the present study, are anticonvulsant as well as neuroprotective in models of brain ischaemia and in a model of white matter ischaemia. BW1003C87 is a sodium channel blocker which also reduces the release of the neurotransmitter glutamate. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this drug family and their biological activities.

Achiral, selective CCK2 receptor antagonists based on a 1,3,5-benzotriazepine-2,4-dione template

Novel, achiral 1H-1,3,5-benzotriazepine-2,4(3H,5H)-diones have been prepared and structurally characterized. These compounds are potent CCK2 receptor antagonists that display a high degree of selectivity over CCK1 receptors.

Auditoría de procesos VDA 6.3

Tesis (Maestro en Ciencias de la Administración con Especialidad en Producción y Calidad) UANL, 2006.