Journal of Structural Chemistry (J STRUCT CHEM+ )

Publisher: Springer Verlag


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.

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  • Other titles
    Journal of structural chemistry (Online), Journal of structural chemistry
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Springer Verlag

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Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: Magnetic Resonance Imaging (MRI) has become a prominent imaging technique in medicine. MRI contrast agents are used to increase the sensitivity of this technique. Recently, a new method for cancer treatment with a less side effect called photodynamic therapy (PDT) has been introduced. In this method cancer tissues are selectively destroyed without injuring the surrounding healthy cells. However, for the successful use of this method, the selection of an appropriate photosensitizer is important. Hence, diagnosis-treat union of MRI and PDT will be significantly promoted if a new family of bi-functional agents is found, which would combine the effects of a contrast agent in MRI and of a photosensitizer in PDT. It will bring great improvement to the cancer diagnosis and treatment. Porphyrins have proved to be useful photosensitizing agents in PDT due to their promising photophysical efficiency and a less side effect. This work briefly describes the research development of porphyrins as a photosensitizer applied in PDT, and also highlights the recent progress in the research on bi-functional agents of MRI-PDT. Diethylenetriamine pentaacetic acid (DTPA) units are incorporated at a meso-position of the porphyrin ring to synthesize new bi-functional agents of MRI-PDT with sufficient water solubility and high relaxation potency. Gd3+ complexes are prepared by the reaction of the high molecular weight porphyrin-based ligand with GdCl3·6H2O. The longitudinal relaxivity measurement indicates 154% and 251% enhancement compared to that of the widely used MRI contrast agent Gd-DTPA. These results indicate that the two complexes could possibly be used as bi-functional agents of MRI-PDT.
    Journal of Structural Chemistry 12/2014; 55(05):910-915.
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    ABSTRACT: By treatment of 1,3-bis(3,4-dimethoxybenzyl)-3,4,5,6-tetrahydropyrimidinium chloride (1) with KOBu t and [PtCl2(PEt3)2]2 N-coordinated platinum complex (2) is obtained. The Pt atom is coordinated in square planar arrangements by two chloride ions in a trans-configuration, the N-formyl-N,N′-bisaryltrimethylenediamine nitrogen atom, and the phosphine P atom. An extensive three-dimensional network of three C-H…O hydrogen bonds, two C-H…π and one π…π interactions are responsible for the crystal stabilization. Intermolecular hydrogen bonds and C-H…π interactions produce R 2 2(6), R 2 2(22), R 2 2(24), R 3 3(23), R 4 4(26), and R 4 4(32) rings.
    Journal of Structural Chemistry 09/2014; 55(4):697-702.
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    ABSTRACT: The crystal structure of two salts of the complex [Ir(phen)Cl4]− anion with K+ (K[Ir(phen)Cl4]·H2O, 1) and Me4N+ ((Me4N)[Ir(phen)Cl4], 2) cations is determined. The iridium(III) ion is in a distorted octahedral environment consisting of chloride anions and a bidentate heterocyclic ligand of 1,10-phenanthroline (phen). A crucial role in the formation of the crystal structure of complex 1 belongs to K…Cl contacts, while in the crystal structure of complex 2, the stacking interactions dominate.
    Journal of Structural Chemistry 05/2014; 55(3):509-514.
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    ABSTRACT: The crystal structure of the bimolecular crystal of CL-20 with new promising highly energetic compound 7H-tris-1,2,5-oxadiazolo[3,4-b:3′,4′-d:3″,4″-f] azepine is obtained and studied.
    Journal of Structural Chemistry 03/2014; 55(2):327-331.
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    ABSTRACT: The reaction of Mn(OAc)2·4H2O with isatin-hydrazone-S-benzyldithiocarbazate (HIsa-SBn) results in the formation of a bis-ligand complex [Mn(Isa-SBn)2]·2DMF. Its single crystal is obtained and the structure is determined by X-ray diffraction. It belongs to a monoclinic space group C2/c with the cell parameters: a = 23.290(4) Å, b = 11.4980(18) Å, c = 18.483(5) Å, V = 4087.6(14) Å3. The Mn(II) atom is six-coordinated with two amide O atoms, two azomethine N atoms, and two thiolate S atoms, resulting in a distorted octahedral geometry.
    Journal of Structural Chemistry 01/2014; 55(1).
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    ABSTRACT: A new compound of ethyl 2-Z-phenylhydrazono-3-E-methylthio(thioxo) methylhydrazone-butanoate is synthesized via the reaction between ethyl 2-Z-phenylhydrazono-3-oxo-butanoate and S-methyldithio-carbazate at room temperature. A single crystal of the titled compound is obtained and the structure is determined by X-ray diffraction. It belongs to a monoclinic P21 space group with the cell parameters: a = 5.335(1) Å, b = 15.907(4) Å, c = 9.507(2) Å, β = 90.21(1)°, V = 806.8(4) Å3. A one-dimensional parallel structure is constructed by an unclassic hydrogen bond and a weak p-π interaction.
    Journal of Structural Chemistry 01/2014; 55(1).
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    ABSTRACT: The crystals of the [Pd3(μ-OH)(μ-CH3COO)5] complex are obtained and characterized using powder and single crystal X-ray diffraction and IR spectroscopy. The crystal structure (a = 15.6942(6) Å, b = 11.7190(3) Å, c = 9.7871(3) Å, V = 1800.05(10) Å3, space group Pna21, Z = 4) is formed from neutral trinuclear cyclic molecules of [Pd3(μ-OH)(μ-CH3COO)5], in which the OH− group, together with five CH3COO− anions, is a bridge ligand.
    Journal of Structural Chemistry 01/2014; 55(1).
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    ABSTRACT: The discovery of the antitumor activity of cisplatin led several research groups to investigate the possible therapeutic applications of other metal based compounds. In an attempt to develop novel metal based drugs with a different therapeutic profile to cisplatin, we have synthesized a new N,N-chelated organotin(IV) trifluoroacetate by the reaction of Ph3SnOCOCF3 with equimolar amounts of 2,9-dimethyl-1,10-phenanthroline (Neocuproine). The complex is characterized by FT-IR and multinuclear NMR (1H, 13C, 19F and 119Sn). FT-IR results authenticate the ligand coordination to the organotin moiety via nitrogen atoms. Furthermore, the cytotoxic activity of the free ligand (Neocuproine) and triorganotin(IV) complex towards human cervix carcinoma HeLa, human myelogenous leukemia K562 and normal immunocompetent cells, peripheral blood mononuclear cells PBMC is evaluated by the MTT (3-[4,5-dimetylthiazol-2-yl]-2,5-diphenyltetrazolium bromide) method. The complex exhibits higher activities than antitumor drug cisplatin in all the tested cell lines. These results indicate that the studied triorganotin(IV) complex can be a potential anticancer agent for further stages of screening in vitro and/or in vivo.
    Journal of Structural Chemistry 01/2014; 55(1).