Structure and intermolecular interactions of <Emphasis Type="Italic">N</Emphasis>-(3,5-di-<Emphasis Type="Italic">tert</Emphasis>-butyl-4-hydroxybenzyl)thioureas

The molecular and crystal structure and the hydrogen bonding in crystal and in solutions of N-phenyl-N-(3,5-di-tert-butyl-4-hydroxybenzyl)thiourea and N-(3,5-di-tert-butyl-4- hydroxybenzyl)thiourea were studied by single crystal X-ray diffraction and IR spectroscopy. The intermolecular interactions of these compounds are essentially different.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 11, 2004, pp. 1864–1870.Original Russian Text Copyright © 2004 by Bukharov, Litvinov, Gubaidullin, Chernova, Shagidullin, Nugumanova, Mukmeneva.This revised version was published online in April 2005 with a corrected cover date.     

<Emphasis Type="Italic">N</Emphasis>-arylsulfinyl-1,4-benzoquinonimines

Stable N-arylsulfinyl-1,4-benzoquinonimines were synthesized by acylation of the corresponding 1,4-benzoquinone monooximes with arenesulfenyl chlorides. The process involves transformation of sulfur(II) into sulfur(IV).Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 9, 2004, pp. 1340–1343.Original Russian Text Copyright © 2004 by Avdeenko, Pirozhenko, Stanovskii, Konovalova, Yusina.This study was performed under financial support by the ES INTAS program (grant no. 00 157–1999) and by the Ministry of Education and Science of Ukraine.     

Synthesis of benzo[<Emphasis Type="Italic">f</Emphasis>]quinoline derivatives by condensation of <Emphasis Type="Italic">N</Emphasis>-arylmethylene-2-naphthylamines with acetylcyclohexane and 1-acetylcyclohexene

N-Arylmethylene-2-naphthylamines react with acetylcyclohexane and 1-acetylcyclohexene under mild conditions to afford 2-aryl-2-(2-naphthylamino)ethyl cyclohexyl and 1-cyclohexenyl ketones, respectively. Under more severe conditions (110°C), the reaction is accompanied by cyclization with formation of 3-aryl-1-cyclohexyl(or 1-cyclohexenyl)benzo[f]quinolines. Proper choice of the amount of catalyst, temperature, and reaction time allows isolation of intermediate 3-aryl-1-cyclohexyl(or 1-cyclohexenyl)-3,4-dihydrobenzo[f]quinolines.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 11, 2004, pp. 1878–1883.Original Russian Text Copyright © 2004 by Grachek.This revised version was published online in April 2005 with a corrected cover date.     

Preparative synthesis of (<Emphasis Type="Italic">Z</Emphasis>)-5-decenyl acetate

A procedure was developed for preparative synthesis of (Z)-5-decenyl acetate, the sex hormone of Agrotis Segetum.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 12, 2004, pp. 2061–2062.Original Russian Text Copyright © 2004 by Chobanyan.     

Competitive complexation in the copper(II) chloride-<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>-dimethylformamide-Aerosil system

Competitive complexation in the copper(II) chloride-N,N-dimethylformamide (DMF)-Aerosil system was studied by IR spectroscopy. It was found that adsorption from organic solutions containing copper(II) chloride and DMF resulted in the formation of the following three types of DMF complexes: self-associates of DMF, DMF complexes with surface hydroxyl groups, and DMF complexes with Cu(II) ions. The removal of DMF resulted in the sequential degradation of, initially, self-associates; next, complexes with silanol groups; and, finally, complexes with copper ions.Translated from Kinetika i Kataliz, Vol. 45, No. 6, 2004, pp. 917–920.Original Russian Text Copyright © 2004 by Golubeva, Zubareva.     

Synthesis of 4,5-dihydroisoxazoles from <Emphasis Type="Italic">N</Emphasis>-nitroso-4,5-dihydropyrazoles

N-Nitroso-4,5-dihydropyrazoles obtained from ethyl(methyl) 5-aryl-4,6-dioxo-1,3a, 4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylates and ethyl(methyl) 7-aryl-6,8-dioxo-1,2,7- triazaspiro[4.4]non-2-ene-3-carboxylates eliminate nitrogen molecule on heating to afford the corresponding 4,5-dihydroisoxazole derivatives.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 10, 2004, pp. 1561–1565.Original Russian Text Copyright © 2004 by Molchanov, Stepakov, Kostikov.     

Oxidation of aromatic compounds: XII. Regio- and stereoselective oxidative dimerization of alkyl 3-arylpropynoates in the system CF<Subscript>3</Subscript>CO<Subscript>2</Subscript>H-CH<Subscript>2</Subscript>Cl<Subscript>2</Subscript>-PbO<Subscript>2</Subscript>

Regio- and stereoselective oxidative dimerization of alkyl 3-arylpropynoates in the system CF₃CO₂H-CH₂Cl₂-PbO₂ (1–30 h, 0–20°C) leads to dialkyl (E)-2,3-bis(arylcarbonyl)-2-butene-1,4-dioates with trans arrangement of the substituents at the double bond.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 9, 2004, pp. 1329–1333.Original Russian Text Copyright © 2004 by Savechenkov, Vasilev, Rudenko.For communication XI, see [1].     

Structure of Zn<Subscript>3</Subscript>P<Subscript>2</Subscript>

The structure of Z_n3P₂ (P 4₂/nmc, a = b = 8. 0785 Å, c = 11. 3966 Å) was solved and refined to R = 3. 2% in a precision X-ray diffraction experiment (λ-MoK _a, graphite monochromator on a primary beam, 27,496 reflections) . Interatomic distances and bond angles have been determined. The fcc lattice of the structure is built from phosphorus atoms, and the zinc atoms occupy 3/4 of all tetrahedral voids; the structure is described by two equivalent models where 1/4 occupied (by zinc atoms) and 1/4 vacant voids change places. The zinc atoms that occupy the voids following the diamond principle do not change places.Original Russian Text Copyright © 2004 by I. E. Zanin, K. B. Aleinikova, M. M. Afanasiev, and M. Yu. Antipin__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 889–892, September–October, 2004.     

Reaction of allyl phenylcarbamate with benzaldehyde phenylhydrazones in the presence of <Emphasis Type="Italic">N</Emphasis>-chlorobenzenesulfonamide sodium salt

Phenylhydrazones derived from 4-bromo-, 4-methoxy-, and 3-nitrobenzaldehydes react with allyl phenylcarbamate in the presence of N-chlorobenzenesulfonamide sodium salt to give the corresponding 3-aryl-1-phenyl-5-(phenylcarbamoyloxymethyl)-4,5-dihydro-1H-pyrazoles whose structure was confirmed by the IR and ¹H and ¹³C NMR spectra.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 10, 2004, pp. 1539–1541.Original Russian Text Copyright © 2004 by Velikorodov.     

Crystal and Molecular Structure of <Emphasis Type="Italic">Bis</Emphasis>(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) Tetrachlorocuprate(II) Sesquihydrate

The structure of bis-(2,3-pentamethylene-3,4-dihydro-4-oxoquinazolinium) tetrachlorocuprate (II) sesquihydrate, (C₁₃H₁₅N₂O)₂[CuCl₄]·1.5H₂O, was determined by single crystal X-ray diffraction. In contrast to the previously studied analogs, the compound contains crystallization water molecules.Original Russian Text Copyright © 2004 by K. K. Turgunov, B. Tashkhodzhaev, L. V. Molchanov, and Kh. M. Shakhidoyatov__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 955–959, September–October, 2004.     

Heterocyclization of functionalized heterocumulenes with C,N- and C,O-binucleophiles: V. Synthesis of imidazo[1,5-<Emphasis Type="Italic">a</Emphasis>]imidazole derivatives by cyclocondensation of 1-chloroalkyl isocyanates with imidazoles and benzimidazole

1-Chloroalkyl isocyanates react with imidazole, 4(5)-phenylimidazole, and 4,5-dimethyl(phenyl)-imidazoles to give 5-aryl-5-trifluoromethyl-5,6-dihydro-7H-imidazo[1,5-a]imidazole-7-ones, and with benzimidazole affording 1-aryl-1-trifluoromethyl-1,2-dihydro-3H-imidazo-[1,5-a]benzimidazole-3-ones.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 11, 2004, pp. 1686–1691.Original Russian Text Copyright © 2004 by Vovk, Sukach, Pinchuk, Chernega, Pirozhenko, Howard.For communication IV see [1].     

Reaction of the Reformatskii reagent obtained from bromotetrahydrofuran-2-one with 2-oxochromene-3-carboxylic or 3-oxo-3<Emphasis Type="Italic">H</Emphasis>-benzo[<Emphasis Type="Italic">f</Emphasis>]chromene-2-carboxylic acid derivatives

The Reformatskii reagent obtained from 3-bromotetrahydrofuran-2-one reacts with alkyl esters of 6-bromo- and 6,8-dibromo-2-oxochromene-3-carboxylic acid or alkyl esters and N-benzylamide of 3-oxo-3H-benzo[f]chromene-2-carboxylic acid to form alkyl esters of 6-bromo- and 6,8-dibromo-2-oxo-4-(2-oxotetrahydrofuran-3-yl)chroman-3-carboxylic acid or alkyl esters and N-benzylamide of 2,3- dihydro-3-oxo-1-(2-oxotetrahdrofuran-3-yl)-1H-benzo[f]chromene-2-carboxylic acid as a mixture of two diastereomers.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 9, 2004, pp. 1513–1515.Original Russian Text Copyright © 2004 by Shchepin, Fotin, Shurov.This revised version was published online in April 2005 with a corrected cover date.     

Crystal Structure of a New Modification of <Emphasis Type="Italic">cis</Emphasis>-Bis(pivalyltrifluoroacetonato)copper(II)

Powder and single-crystal X-ray diffraction study of cis-bis(pivalyltrifluoro-acetonato)copper(II) has been performed (Bruker AXS P4 automatic diffractometer, MoK _β radiation, t = −25°C). Crystal data for C₁₆H₂₀CuF₆O₄: a= 9.980(7) Å, b = 19.236(13) Å, c = 20. 771(14) Å, space group Pbca, V = 3987(5) ų, Z = 8, d _calc = 1.512 g/cm³. The square-planar environment of the Cu atom (Cu-O_av 1.904 Å, =O-Cu-O_av 92.4°) is completed to bipyramidal by the atoms of the neighboring molecules, Cu...F 2.78 Å and Cu...C_γ 3.30 Å. The complex forms centrosymmetric pseudo dimers with Cu...Cu distances of 4.59 Å.Original Russian Text Copyright © 2004 by S. A. Gromilov, I. A. Baidina, P. A. Stabnikov, and G. V. Romanenko__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 893–898, September–October, 2004.     

A procedure for preparing <Emphasis Type="Italic">N</Emphasis>-hydroxyethyl-substituted succinimide and phthalimide

Conditions of synthesis of N-hydroxyethyl-substituted succinimide and phthalimide by reactions of dicarboxylic acid imides with aminoethanol were optimized.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 12, 2004, pp. 2059–2060.Original Russian Text Copyright © 2004 by Gasanov, Allakhverdiev.     

Quantum-chemical modeling of photoelectron spectra and electronic structure of <Emphasis Type="Italic">tris</Emphasis>-β-diketonates of 3<Emphasis Type="Italic">d</Emphasis>-metals Sc,Ti, V

The electronic structure and ionization energies of chelate complexes were calculated for transition metals Sc, Ti, and V using the Hartree-Fock (HF)SCF ab initio approximations. As the number of d electrons increases in the series of these compounds, the sequence of HF orbitals does not agree any longer with the PES bands and with the data obtained in the density functional theory approximation. Using the configuration interaction (CI) method considerably improves agreement with experiment. For the vanadium complex containing an odd d electron in the ionized state, the HF orbitals become a rough approximation for the CI decomposition, hindering the interpretation of the ionic states.Original Russian Text Copyright © 2004 by V. I. Vovna and I. S. OsmushkoTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 4, pp. 651–659, July–August, 2004.This revised version was published online in April 2005 with a corrected cover date.     

Thermodynamics of nickel(II) complexation with 2-hydroxypropylene-1,3-diamine-<Emphasis Type="Italic">N,N, N’, N’</Emphasis>-tetraethanoic acid

Heat effects of formation of nickel(II) hydroxypropylenediaminetetraacetate were determined for the first time at 298.15 K and the ionic strength I = 0.1, 0.5, and 1.0(KNO₃) by the direct calorimetric method. The corresponding standard thermodynamic characteristics of complexation were calculated. The results obtained were compared with published data on related compounds.Translated from Koordinatsionnaya Khimiya, Vol. 30, No. 12, 2004, pp. 943–945.Original Russian Text Copyright © 2004 by Gridchin, Kochergina, Pyreu.     

New uranyl complex with imidazolidine-2-one [UO<Subscript>2</Subscript>(Imon)<Subscript>4</Subscript>(H<Subscript>2</Subscript>O)](ClO<Subscript>4</Subscript>)<Subscript>2</Subscript>: Structure and some properties

A complex of uranyl perchlorate with imidazolidine-2-one as the molecular ligand, [UO₂(Imon)₄(H₂O)](ClO₄)₂ (I), was synthesized and structurally characterized by X-ray diffraction analysis. The coordination number of the uranium atom is 7. The nearest environment of the uranyl ion includes four O atoms of the imidazolidine-2-one molecules and one O atom of the water molecule. The perchlorate anions are outer-sphere ligands. The crystals are monoclinic: space group P2₁/c; a = 16.294(3) Å, b = 16.135(3) Å, c = 9.987(2) Å, = 97.69 (3)°, V = 2603.0 (9) ų, (calcd) = 2.117 g/cm³, Z = 4. The IR and luminescence spectra of the complex were recorded.Translated from Koordinatsionnaya Khimiya, Vol. 30, No. 12, 2004, pp. 919–924.Original Russian Text Copyright © 2004 by Andreev, Antipin, Budantseva, Tuchina, Serezhkina, Fedoseev, Yusov.     

Transformation of 3,4-bis(formylamino)pyridine into 4-nitro-1,2,3-triazolo[4,5-<Emphasis Type="Italic">c</Emphasis>]pyridine 2-oxide in the reaction with nitrating mixture

Treatment of 3,4-bis(formylamino)pyridine with a mixture of concentrated nitric and sulfuric acids unexpectedly afforded 4-nitro-1,2,3-triazolo[4,5-c]pyridine 2-oxide. Reduction of the latter with iron in acetic acid gave previously known 4-amino-1,2,3-triazolo[4,5-c]pyridine.Translated from Zhurnal Organicheskoi Khimii, Vol. 40, No. 10, 2004, pp. 1574–1575.Original Russian Text Copyright © 2004 by Yutilov, Smolyar.     

Bibliometric Analysis of the <Emphasis Type="Italic">Journal of Structural Chemistry</Emphasis>

Bibliometric analysis has been carried out for the Journal of Structural Chemistry (JSC) published since 1960 by the Siberian Branch of the Russian Academy of Sciences. All JSC publications which appeared between 1960 and 2002 have been chosen online from the Chemical Abstracts and Science Citation Index databases of the STN International net and analyzed according to topics, authors, affiliations, and other criteria. JSC authors and publications with the largest numbers of citations have been identified. The impact factor has been determined for JSC 2002.Original Russian Text Copyright © 2004 by V. M. Buznik, I. V. Zibareva, V. N. Piottukh-Peletskii, and N. I. Sorokin__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 1142–1153, November–December, 2004.     

Synthesis of <Emphasis Type="Italic">N</Emphasis>-(2-vinyloxyethyl)pyrazoles

Alkylation of pyrazoles with 2,2-dichloroethyl ether under conditions of phase-transfer catalysis was studied. The monoalkylation products of 3(5)-methylpyrazoles at 190–200°C undergo intramolecular cyclization to form bicyclic salts. Conditions for dehydrochlorination of N-[2-(2- chloroethoxy)ethyl]pyrazoles into N-(2-vinyloxyethyl)pyrazoles were found.Translated from Zhurnal Obshchei Khimii, Vol. 74, No. 8, 2004, pp. 1365–1367.Original Russian Text Copyright © 2004 by Attaryan, Martirosyan, Panosyan, Matsoyan.This revised version was published online in April 2005 with a corrected cover date.