Journal of Structural Chemistry (J STRUCT CHEM+)

Publisher: Springer Verlag

Journal description

Journal of Structural Chemistry a translation of Zhurnal Strukturnoi Khimii is a publication of the Siberian branch of the Russian Academy of Sciences. This outstanding journal contains papers on all aspects of theoretical and practical structural chemistry emphasizing new physical methods and techniques. It is devoted to studies of the structure of solids liquids and gases ñ including inorganic organic and organometallic compounds crystals minerals radicals and water ñ by methods of electron diffraction X-ray analysis and spectroscopic techniques. The Russian volume-year is published in English beginning in July.

Current impact factor: 0.51

Impact Factor Rankings

2015 Impact Factor Available summer 2016
2014 Impact Factor 0.508
2013 Impact Factor 0.501
2012 Impact Factor 0.575
2011 Impact Factor 0.586
2010 Impact Factor 0.547
2009 Impact Factor 0.453
2008 Impact Factor 0.579
2007 Impact Factor 0.481
2006 Impact Factor 0.345
2005 Impact Factor 0.368
2004 Impact Factor 0.472
2003 Impact Factor 0.479
2002 Impact Factor 0.415
2001 Impact Factor 0.538
2000 Impact Factor 0.507
1999 Impact Factor 0.374
1998 Impact Factor 0.303
1997 Impact Factor 0.315

Impact factor over time

Impact factor

Additional details

5-year impact 0.55
Cited half-life >10.0
Immediacy index 0.12
Eigenfactor 0.00
Article influence 0.12
Website Journal of Structural Chemistry website
Other titles Journal of structural chemistry (Online), Journal of structural chemistry
ISSN 0022-4766
OCLC 48635596
Material type Document, Periodical, Internet resource
Document type Internet Resource, Computer File, Journal / Magazine / Newspaper

Publisher details

Springer Verlag

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    • Author's post-print on any open access repository after 12 months after publication
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    • Must link to publisher version
    • Set phrase to accompany link to published version (see policy)
    • Articles in some journals can be made Open Access on payment of additional charge
  • Classification

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: New coordination compounds based on 1,3,5-benzenetricarboxylate (btc3−) and complex cations of copper(II) and nickel(II) with monodentate ligands {{[Cu(py)3]3(btc)2}·4,5H2O} n (1) and {[Ni(py)3(H2O)]3(btc)2} n (2) were obtained. The molecular and crystal structures of these compounds and their isomorphism were determined by X-ray diffraction analysis. Crystals of 1 and 2 are characterized by a layered structure due to the stacking of two-dimensional coordination-polymer layers interacting with each other through C-H…π non-covalent interactions and C-H…O weak hydrogen bonds. It is shown that these compounds are potentially highly porous materials with coordinatively unsaturated metal ions (Lewis acid sites).
    Journal of Structural Chemistry 12/2015; 55(8):1466-1473. DOI:10.1134/S0022476614080137
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    ABSTRACT: The crystal structures of 12-hydroxynorfluorocurarine (vincanidine) isolated from the plant Vinca erecta, its hydrochloride monohydrate, quaternary salts — chloromethylate and iodomethylate, and the quaternary base (zwitterionic betaine) have been studied. The asymmetric centers of the molecules have the 3S, 7R, 15S configuration. In all cases, the carbonyl group is in a twisted orientation with respect to the N1H group and participates in the intramolecular H-bond with this group. In crystals, the 12-hydroxy group is involved in intermolecular interactions. The quaternary base of 12-hydroxynorfluorocurarine contains a zwitterionic form of the alkaloid due to deprotonation of the 12-hydroxyl group. The packing in the crystal structure of 12-hydroxynorfluorocurarine and the quaternary base contains voids (19.8 % and 21.8 % of the total volume of the crystal cell, respectively) of the channel type along the c crystallographic axis.
    Journal of Structural Chemistry 12/2015; 55(8):1514-1520. DOI:10.1134/S0022476614080198
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    ABSTRACT: This review describes the current state of studies on the phenomenon of interpenetration of framework groups in crystal structures. The generally accepted terminology used in the description of topology of interpenetrating motifs, symmetric and topological properties of interpenetrating systems is given. The main advances of crystal chemistry in the systematization of interpenetrating structures are elucidated. It is noted that the major trend in the crystal chemistry of interpenetration is the development of methods for the topological classification of the entanglements of interpenetrating groups and the search for the regularities of their implementation in crystalline substances. The main ways of the formation of interpenetrating structures, the appearing here geometrical-topological restrictions, and also the effect of stereochemical factors and synthesis conditions on the possibility of interpenetration are considered.
    Journal of Structural Chemistry 12/2015; 55(7):1308-1325. DOI:10.1134/S0022476614070130
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    ABSTRACT: In connection with the 100th anniversary of the discovery of the phenomenon of the diffraction of X-rays by crystals (Max von Laue, 1912) and the basics of X-ray crystallographic analysis (Lawrence Bragg, 1913), the article marks the major milestones in this outstanding event in the history of science. Special emphasis is given to the role of Russian scientists (E. S. Fedorov, G. V. Vulf) in the emergence and early steps in the establishment of this discovery being one of the pillars of the scientific revolution of the first half of the past century.
    Journal of Structural Chemistry 12/2015; 55(7):1200-1205. DOI:10.1134/S0022476614070026
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    ABSTRACT: The analysis of the literature data reveals that, as a rule, layered double hydroxides prepared by co-precipitation have an imperfect structure; however, there are different viewpoints on the type of the defects. Thermal decomposition of Mg-Al, Mg-Ga, and Ni-Al hydroxides occurs through dehydration, dehydroxylation, and decarbonization. The first stage affords a layered dehydrated phase with a strongly disordered structure, which is a subject of controversy. Also, the question on the diffusion of cations during thermolysis is still open, i.e., whether the Mg-Al, Mg-Ga and Ni-Al systems degrade with the development of a nanoheterogenous oxide systems or a single-phase mixed oxide, but with very defective structure, is formed.
    Journal of Structural Chemistry 12/2015; 55(7):1326-1341. DOI:10.1134/S0022476614070142
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    ABSTRACT: The structure of supramolecular complexes of poly-γ-benzyl-L-glutamate (PBG) with water and dioxane molecules during sorption from pure liquids and their binary mixtures is studied by IR spectroscopy and quantum chemical calculations. It is shown that the sorption sites of water and dioxane in PBG are different in nature. Water molecules are bound in the monomeric form to the carbonyl groups of the ester moieties of the side chains and the helical backbone of the peptide to form complexes with two hydrogen bonds. Dioxane molecules are sorbed in a large amount in the region of the side chains of PBG, causing their repacking with preservation of the helicity of the polypeptide backbone. Under simultaneous sorption of water and dioxane vapors, the binding of the latter increases the number of water molecules bound to the carbonyl groups of PBG. In this case, there is also an additional absorption of water molecules on the oxygen atoms of dioxane molecules. Calculations have shown that in the most probable configuration of the complexes, the water molecule simultaneously forms hydrogen bonds with the carbonyl groups of the side chain and the peptide backbone. Dioxane molecules do not penetrate to the peptide groups of helical backbone of PBG due to steric hindrance and are localized in the region of the benzyl moieties of the side chains; such complexes are stabilized by weak CH…O interactions.
    Journal of Structural Chemistry 12/2015; 55(8):1565-1573. DOI:10.1134/S0022476614080265
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    ABSTRACT: The aggregation properties of supramolecular systems based on polyethyleneimines and cationic surfactants with a bicyclic head group — mono- and diquaternized derivatives of 1,4-diazabicyclo[2.2.2]octane are studied by surface tension measurements, potentiometry, conductivity measurement, and dynamic light scattering. The critical aggregation concentrations of individual and mixed systems based on them, as well as the size of the ensembles they form are determined. The relationship between the aggregation behavior and hydrophobicity of the polymer and the structure of the cationic surfactant is established.
    Journal of Structural Chemistry 12/2015; 55(8):1541-1547. DOI:10.1134/S002247661408023X
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    ABSTRACT: X-ray diffraction characteristics are obtained for odd monocarboxylic acids (fatty acids) C n H2n O2 with n = 11, 13, 15, 17, 19, and 21. It is found that all original samples (reagents) of these acids are two-phase. There are found the following modifications: for the acid with n = 11 triclinic Tc (space group P-1) and monoclinic M 3 (space group P21/c); for n = 13 triclinic Tc (space group P-1) and bilayered monoclinic 2M (space group A2/a); for n = 15, 17, 19, 21 two monoclinic M 1 (space group P21/a) and M 3 (space group P21/c). It is demonstrated that the homological series and individual homologues of fatty acids manifest noticeable crystal chemical features such as morphotropism and polymorphism, respectively. Thermal phase transformations of odd fatty acids are studied using pentadecanoic acid C15H30O2 as a representative example. It is found that near the melting point (52 °C) within the temperature range of 45-50 °C the monoclinic phase M 1 of this acid undergoes a polymorphic transformation in the high-temperature bilayered monoclinic phase 2M. The data obtained are compared to those reported in the literature. An express standardless test is developed for the determination of homologues (the n value) and polymorphic modifications of monocarboxylic acids.
    Journal of Structural Chemistry 12/2015; 55(7):1260-1267. DOI:10.1134/S0022476614070099
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    ABSTRACT: The structure and properties of supramolecular complexes of α-chymotrypsin with hydroxyl-containing alkyl ammonium gemini surfactants (GSs) — α,ω-alkanedyl-bis(hydroxyethylmethylcetyl ammonium dibromides), with a polymethylene spacer of varying length have been studied. IR spectroscopy and tryptophan fluorescence data show that the interaction of GSs with α-chymotrypsin leads to changes of different intensity in the structural state of proteins. The most probable complexation mode of enzyme with GSs have been proposed by the molecular docking method. A correlation is found between the activity of α-chymotrypsin and the length of the GS spacer moiety. The enzyme activity correlates with the change in the substrate concentration in the aqueous phase of the surfactant micellar solution.
    Journal of Structural Chemistry 12/2015; 55(8):1556-1564. DOI:10.1134/S0022476614080253
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    ABSTRACT: The crystallization products from the liquid phase of DClO4·2D2O (99 at.% D) on a silver chloride substrate were investigated by IR absorption spectroscopy. The conditions of crystallization and heat treatment of the resulting crystal film of D5O 2 + ClO 4 − (I) were varied to detect signs of polymorphism. The results of the study indicate the existence of four metastable crystalline phases for I. It is shown that the chain of transformations of the metastable phases initiated by heat treatment is accompanied by disturbances of the symmetry of the symmetry of the D2O 2 + cation. The detected phase transformations are irreversible. The most stable metastable phase is isostructural with the well-known orthorhombic phase of D5O 2 + ClO 4 − . The metastable nature of the orthorhombic phase is confirmed by the presence of a monotropic transition, which dramatically reduces the symmetry of the D5O 2 + cation. The polymorphism typical of I disappears with the addition of more than 10 at.% of protium. Instead of the four metastable phases found for the deutertaed sample, only one orthorhombic phase crystallizes. Extraordinary stabilization by the addition of the protium isotope prevents polymorphic transition.
    Journal of Structural Chemistry 12/2015; 55(8):1401-1408. DOI:10.1134/S0022476614080046
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    ABSTRACT: X-ray structure determinations of three crystal forms of a 18-crown-6-containing styryl dye of the pyridine series in iodide form (1), containing various solvate molecules, namely water (1a), 2,6-dihydroxyoaphthalene (1b), 1,4-hydroquinone (1c), and analysis of crystal packings of these crystals, together with the previously investigated non-solvated form (crystal 1) and the solvates with benzene and water (crystal 1d) has been carried out. Crystal packing in 1a, 1b, 1c, and 1d involves a stacking leading to dimers of the dye cations, structurally preorganized for the [2+2]-photocycloaddition (PCA) reaction. On irradiation of with visible light, the PCA reaction with the centrosymmetric rctt isomer leads to the cyclobutane derivative formation. In the case of 1a and 1b the PCA proceeds with the retention of crystallinity, while with other solvates crystals are transformed into a glass. The glasses keep the form and the shine of the initial crystals, nevertheless. In the cases of the non-solvated crystal form (1), translation-related stacks form, with the geometry inconsistent with that of the preorganized dimer. These crystals are stable in visible light.
    Journal of Structural Chemistry 12/2015; 55(8):1484-1495. DOI:10.1134/S0022476614080162
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    ABSTRACT: The molecular and crystal structure of 2-amino-1,1,4,5,6,7- hexafluoroindene-3-carbonitrile, its complex, and two polymorphic modifications of the complex of 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene with 1,4-dioxane were determined with X-ray diffraction analysis. The supramolecular architecture of the crystals was analyzed based on the interaction energies of molecular pairs calculated by the DFT (M06-2X/TZV) method using experimental crystal atomic coordinates.
    Journal of Structural Chemistry 12/2015; 55(8):1496-1505. DOI:10.1134/S0022476614080174
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    ABSTRACT: The coordination number parity law is formulated: the coordination polyhedra (CP) with the odd number of vertices, except for 3 (CP is a triangle), occur far less often than the polyhedra with the even number of vertices. CP with the odd number of vertices, except for the triangle, cannot be regular and have at least two different types of vertices and two sets of interatomic lengths. The main and first c.n. always keeps parity. A CP distortion due to crystal chemical causes tends to be minimum, obeying the pseudo-symmetry laws. A CP distortion, other things being equal, leads to an increase in the average bond length as compared to the regular polyhedron (distortion theorem). The value of the increase in the average interatomic distance depends on the degree of distortion by the linear or (for a very strong distortion) the square dependence. The histograms of the distribution frequencies of the interatomic lengths have a positive deviation from the Gauss normal distribution law. A free molecule or a complex ion having a distortion due to the directed configuration of chemical bonds or to the electronic effects of the Jahn-Teller type for transition metals, maintain it in the crystal structure as well. During the polymerization of radicals there arise specific distortion effects due to a various coordination environment of the bridging and apical ligands. One of the most general rules of the CP distortion is associated with a less symmetric and less homogenous environment of anions in comparison with that of cations and a higher polarizability of anions. An important exception from this rule is the group of compounds with the so called anion-centered tetrahedra in which more symmetrical positions are occupied, as a rule, by anions in the center of the tetrahedra.
    Journal of Structural Chemistry 12/2015; 55(7):1277-1292. DOI:10.1134/S0022476614070117
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    ABSTRACT: Unusual pentanuclear copper cluster based on 1,2-diphosphacyclopentadienide ligand was first synthesized and characterized by X-ray diffraction analysis.
    Journal of Structural Chemistry 12/2015; 55(8):1474-1477. DOI:10.1134/S0022476614080149
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    ABSTRACT: Supramolecular systems based on tetracationic pyrimidine-containing surfactants of acyclic and macrocyclic structures with varying nature of the spacer were studied. The critical micelle concentrations (CMC) and the hydrodynamic diameter of aggregates were determined, and the packing of molecules in the surface layer was analyzed. Insignificant differences in the CMC with variation in the nature of the spacer and in the transition from acyclic to macrocyclic surfactants suggest elimination of the structural factor in the self-organization of the investigated compounds. The molecular packing is shown to change greatly in the transition from monomeric pyrimidinophane to oligomeric tetracationic amphiphiles.
    Journal of Structural Chemistry 12/2015; 55(8):1548-1555. DOI:10.1134/S0022476614080241
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    ABSTRACT: Synthesis of 5R*-(3-methoxy-phenyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidine-2,6-dicarboxylic acid diethyl ester (2a) and 3,7-dimethyl-5S*-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-2,6-dicarboxylic acid diethyl ester (2b) are achieved by the cyclocondensation of 3,4-dihydropyrimidine-2-thione derivative with α-haloester. Preliminary analysis was done spectroscopically by means of 1H NMR spectra, mass spectra and elemental analyses. Further the structures were confirmed by X-ray crystal structure analysis. The two molecules are not identical in configuration. In both the compounds the central pyrimidine ring adopts a conformation which is best described as an intermediate between a boat and screw boat form. The crystal structure is stabilized by intermolecular C-H…O and C-H…π weak interactions.
    Journal of Structural Chemistry 12/2015; 55(8):1521-1526. DOI:10.1134/S0022476614080204
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    ABSTRACT: The structures of [Yb5(dbm)10(OH)5]·2CH2Cl2 and [Er5(dbm)10(OH)5]·6CH2Cl2 (dbm = dibenzoylmethanate) were established. The compounds are crystallized in different space groups P4/n and P21/n correspondingly. Ytterbium complex is isostructural to known [Ln5(dbm)10(OH)5]·2C7H8 (Ln = Er, Yb). Structural type of erbium complex prepared in this work has no analogues amongst similar pentanuclear dibenzoylmethanate complexes. The cavities types of the structures filled by CH2Cl2 molecules are different.
    Journal of Structural Chemistry 12/2015; 55(8):1437-1441. DOI:10.1134/S0022476614080095