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1.
John Nicolson Low Antonio Marchal Manuel Nogueras Manuel Melguizo Adolfo Sánchez 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):178-179
The title compound, C15H21N5O2, lies on a crystallographic mirror plane and is hydrogen bonded to neighbouring molecules by infinite chains formed by combinations of strong N—H⃛N and soft C—H⃛O hydrogen bonds. The pyrimidine moiety shows extensive delocalization. 相似文献
2.
Prasenjit Bhunia Bhulendranath Baruri Umasankar Ray Chittaranjan Sinha Sunirban Das Jack Cheng Tian-Huey Lu 《Transition Metal Chemistry》2006,31(3):310-315
The reaction of Mn(OAc)2 · 4H2O and 1-alkyl-2-(arylazo)imidazole [RaaiR′ where R = H (a), Me (b); R′ = Me (1/3/), Et (2/4/)] and NH4NCS in MeOH in a 1:2:2 mole ratio afforded [Mn(RaaiR′)2(NCS)2] (3) and (4) complexes. They were characterized by different physicochemical methods and the structure has been confirmed by single crystal
X-ray diffraction study for title compound. One of the primary ligands was also characterised by an X-ray diffraction study. 相似文献
3.
Hubert Schmidbaur Klaus Dziwok Gabriele Reber Gerhard Müller 《Helvetica chimica acta》1987,70(7):1905-1910
2,3-Bis(diphenylphosphino)-1,3-butadiene A method for synthesis of the title compound is described, using the readily available 2,3-bis(diphenylphosphinoyl)-1,3-butadiene ( 1 ) as the starting material. For the protection of the diene system, 1 is first converted into the 1,4-dibromo- and 1,4-dichloro derivatives 2a and b , respectively, by addition of Br2 or Cl2, respectively. The structure of 2b has been determined by single-crystal X-ray diffraction. The molecule has a centrosymmetrical (E)-configuration. Reduction of the phosphinoyl groups by HSiCl3(to give the bis(diphenylphosphino)compound 3), followed by removal of the Cl-atoms using Zn powder, affords the bis(diphenylphosphino)butadiene 4 . Compounds 3 and 4 give quaternary phosphonium salts 5 and 6 , respectively, on addition of CH3OSO2F or CH3I. The sulfur analogue of 1 is formed on treatment of 4 with elemental sulfur. 相似文献
4.
Xing-Hai Liu Cheng-Xia Tan Jian-Quan Weng 《Phosphorus, sulfur, and silicon and the related elements》2013,188(3):558-564
Abstract A new triazole compound, C46H46N10O2S2, has been synthesized, and the crystal structure was determined by a single crystal X-ray diffraction study. The fungicidal activity of the title compound was determined, and the results showed that it displays moderate fungicidal activity. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. GRAPHICAL ABSTRACT 相似文献
5.
The photochemical behaviour of the title compound 1a is compared to that of the non-fluorinated parent ketone 2-methylcyclohexanone ( 1b ). Substitution of the CH3- group on C(2) by a trifluoromethyl group strongly enhances 2H- and RH- reduction product formation in cyclohexane or 2-propanol and oxetane formation in the presence of 2-methylpropene as olefinic component. Under all these conditions 1b exclusively undergoes a-cleavage, a process observed for 1a only in non-reducing solvents as benzene or tert-butyl alcohol. 相似文献
6.
A novel bis-heterocyclic compound was synthesized and characterized. The crystal structure of the title compound (C22H20ClN5OS, Mr = 437.94) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 8.646 (2), b = 9.148 (3), c = 14.540 (4) Å, α = 94.422 (4), β = 98.500 (4), γ = 102.823 (4)°, V = 1101.8 (5) Å3, Z = 2, F(000) = 312, Dc = 1.320 g/cm3, μ = 0.2900 mm?1, the final R 1 = 0.041000 and wR 2 = 0.1160 for 2675 observed reflections with I > 2σ(I). A total of 5623 reflections were collected, of which 3866 were independent (R int = 0.019000). The fungicidal activity of title compound was determined, the results showed the title compound displayed moderate fungicidal activity against G. zeae Petch, Phytophthora infestans (Mont.) de Bary, Botryosphaeria berengeriana f. sp. piricola (Nose) koganezawa et Sakuma, Fusarium oxysporum f.sp. cucumerinum, and Cercospora arachidicola. 相似文献
7.
Xiaoming Liu Colin A. Kilner Mark Thornton-Pett Malcolm A. Halcrow 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(3):317-318
The title compound, C9H10Br2O, is a major product of the radical bromination of 4-methoxy-1,2-dimethylbenzene. Each Br atom is involved in a close contact with the O atom of a neighbouring molecule, forming a geometry that is suggestive of weak intermolecular OBr charge-transfer interactions. 相似文献
8.
Irradiation of the title compound with two D-labeled methyl groups gave 2-methyl-d3-4-(9-phenanthryl)-1-butene-d3, which was eluciated on the bases of the spectral evidences and chemical degradation. Based on the discussions of MO following and bond order change between the designed basis orbital pairs on excitation, the most reasonable ring-opening mode of the title compound appeared to be the direct suprafacial 1,3-hydrogen migration. 相似文献
9.
M. Kayalvizhi G. Vasuki K. Ramamurthi Navin B. Patel Hemant R. Patel 《Journal of Structural Chemistry》2013,54(3):645-647
The title compound C24H22ClNO2 belongs to the orthorhombic system, space group Pca21 with a = 12.1771(10) Å, b = 4.9305(4) Å, c = 34.419(3) Å, α = β = γ = 90°, V = 2066.5(3) Å3, Z = 4, Dc = 1.260 g/cm3, F(000) = 824, R = 0.0402 and wR = 0.1144, S = 1.034, T = 293 K. The compound is a chalcone with 4-chlorophenyl and [(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The propenone bridge makes dihedral angles of 10.61(23)° and 62.75(22)° respectively, with 4-chlorophenyl and the [(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl group. 相似文献
10.
G. Mekuskiene M. M. Burbuliene V. Jakubkiene E. Udrenaite P. Gaidelis P. Vainilavicius 《Chemistry of Heterocyclic Compounds》2003,39(10):1364-1368
5-(4,6-Diphenyl-2-pyrimidinyl)-1,3,4-oxadiazole-2-thione reacted with haloalkanes or their derivatives containing side chain oxo group to give S-alkylated compounds. Aminomethylation and acylation of the thione yielded N(3)-derivatives. Treatment of the title compound with hydrazine hydrate in butanol resulted in 4-amino-5-(4,6-diphenyl-2-pyrimidinyl)-1,2,4-triazole-3-thione via a recyclization reaction. Reaction of the title compound with hydrazine hydrate or phenylhydrazine in dioxane led to formation of the corresponding thiocarbohydrazides. The latter in the presence of a base were cyclized to 4-amino-1,2,4-triazole-3-thiones. 相似文献
11.
The title compound, 4,7-(OH)2-2,3-(CH3)2-2,3-C2B9H7 (11), reacts cleanly with various glycols to yield exocyclic ring systems. The glycol fragment is fused to the carborane polyhedra through two boronoxygencarbon bonds. The use of 18O enriched ethylene glycol indicates the hydroxyl groups on the carborane polyhedra are displaced during the condension reaction. The reaction of optically active glycols with the title compound also indicates the hydroxyl groups on the glycol must adopt a cis conformation during the condensation reaction. 相似文献
12.
A stable titanium(IV) compound with four different kinds of ligands, TiCl(OCH3)(SO3Cl)? (SO3F), results when TiCl2(OCH3)(SO3F) is refluxed with HSO3Cl using CH2Cl2 as the solvent. It is an off-white solid and decomposes around 125°C. The powder X-ray diffraction studies of the title compound will be discussed along with other physical and chemical properties. 相似文献
13.
Nigel L. Pickett Oliver Just Donald G. VanDerveer William S. Rees 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):412-413
In the course of work on main‐group silyl compounds, crystals of the title compound, [Hg(C3H9Si)2]2, were prepared. An earlier X‐ray analysis of this compound failed to give a full structural characterization. Here, the title compound is found to consist of dimers with 222 crystallographic symmetry formed by two molecules of (Me3Si)2Hg linked by a weak Hg?Hg interaction with an interatomic distance of 3.1463 (6) Å. Each Si—Hg—Si frame is nearly linear and has an Hg—Si distance of 2.4913 (18) Å. 相似文献
14.
《Comptes Rendus de l''Academie des Sciences Series IIB Mechanics Physics Astronomy》1998,1(11):709-714
The preparation and the crystal structure of the title compound are described. C6H5CH[NHCOOC(CH3)3]CH2OH is monoclinic with the following unit-cell dimensions: a = 10.354(2), b = 6.533(3), c = 10.505(1) Å, β = 98.58(1)∘. The space group is P21 and Z = 2. The crystal-structure determination was run by using 1481 independent reflexions with a final R value of 0.033 (Rw = 0.043). 相似文献
15.
Klaus Von Deuten Werner Schnabel Gunter Klar 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1):93-98
Abstract The reaction of sodium N,N-diethyldithiocarbamate with tellurium (IV) chloride in 2:1 molar ratio in dioxane yields the title compound [Cl(Et2NCS2)3Te]·C4H8O2(5), the X-ray crystal structure of which has been determined. Tellurium has a distorted pentagonal-bipyramidal coordination with the lone pair showing only slight stereochemical activity. 相似文献
16.
Ta-jyh Lee 《Tetrahedron letters》1979,20(25):2297-2300
The title compound , a key intermediate for PGE2 elaboration, is readily available in nine steps from furfuryl alcohol. The crucial steps include the exclusive formation of from and the subsequent intramolecular Aldol condensation to . 相似文献
17.
Galina S. Zaitseva Sergei S. Karlov Andrei V. Churakov Judith A. K. Howard Evgeni V. Avtomonov J
Rg Lorberth 《无机化学与普通化学杂志》1997,623(7):1144-1150
Syntheses of the title compounds, viz. N(CH2CH2O)3GeY ( 2 Y?Fluorenyl; 4 Y?PhC?C) by the reaction of X3GeY ( 1 Y?Fluorenyl, X?Br; 5 Y?PhC?C, X?Cl) with N(CH2CH2OSnR3)3 ( 3 R?Et; 6 R?Bu) are reported including the preparation of the new compound 1 . Identity and structures were established by elemental analyses, 1H and 13C NMR spectroscopy. 2 and 4 were characterized by mass spectrometry. Single crystal structures of 1 , 2 and 4 were determined by X-ray diffraction methods. 相似文献
18.
Andrew James Churchard Micha Ksawery Cyraski Wojciech Grochala 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(9):m263-m265
The title compound, [Ni(H2O)6][Ni(SO4)2(C10H24N4)]·2H2O, is an unusual compound in that it is composed of a hexaaqua complex, formally a dication, and a mixed‐donor complex (four N and two O atoms), formally a dianion, with substantial charge separation between the two nickel centres (6.536 Å). The homoleptic dication complex consists of the weaker‐field ligands, whilst the dianion retains the coordination of all the higher‐field donors. Both nickel ions are located at centres of symmetry. This rare compound is placed in the context of previously reported structures which emphasizes its peculiarity. 相似文献
19.
Chunhua Hu Ulli Englert 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(11):1251-1252
For crystals of the title compound, [ZnCl2(C4H2Cl2N2)2], metric considerations suggest a monoclinic unit cell. However, the symmetry of the diffraction pattern shows the crystals to be triclinic, with very similar lattice constants a and b, and α and β. All crystals examined were twinned. The discrepancy between the reliability indices for merging in the monoclinic lattice metric symmetry and the triclinic crystal symmetry constitutes an indicator for the volume ratio between the components. The asymmetric unit contains three independent molecules. At the molecular level, the compound shows a distorted tetrahedral coordination around one Zn atom. 相似文献
20.
Hydride abstraction of tricarbonyl[η4phenylthio)-l,3-cyclohexadiene]iron(0) complex 2 with Ph3C+PF6? regiospecifically provided the title compound 3 in excellent yield. Cationic complex 3 could react with a variety of nucleophiles in good yield. Hard nucleophiles prefer to attack at the C-l position, whereas soft and hindered nucleophiles favor attack at the C-5 position. Some synthetic applications were also studied. 相似文献