The supramolecular arrangement in the Ni(II) complexes of isothiosemicarbazide

The molecules of two complexes [Ni(ITSC)2(H2O)2](tere)·2H2O and [Ni(ITSC)2(NO3)2] (ITSC = S-methylisothiosemicarbazide; tere = terephthalate) tend to associate trough the hydrogen bonding interactions into the characteristic 2D blocks separated by the S-methyl moieties. The different coordination mode of the isothiosemicarbazide comparing to thiosemicarbazide (TSC) prevents the formation of the complementary hydrogen bonds with dicarboxylate important for selfassambly of TSC complexes, however in these ITSC the terephthalate anion has role in connection of the blocks and transformation of the 2D into the 3D supramolecular structure. The similar crystal arrangement is found in two earlier reported complexes of Ni(II) with ITSC.Physical chemistry 2004 : 7th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 21-23 September 200

Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes

The Cambridge Structural Database (CSD) was screened in order to find and investigate specific C−H⋅⋅⋅π interactions between C−H groups and two types of rings with delocalized π-bonds that exist in porphyrin: pyrrole and six-membered chelate. Statistical analysis of geometrical parameters for interactions in both types of rings was done. In order to determine preferred positions in porphyrinato ring for C−H⋅⋅⋅π interactions fifteen different points distributed over porphyrin ring have been chosen and each of them have been analyzed. Calculations of these interactions by density functional theory (DFT) have been done on three different model systems.Physical chemistry 2006 : 8th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 26-29 September 200

Crystal and absolute structure of the aquadichloro(pyridoxal thiosemicarbazone) iron(III) chloride

A new Fe(III) complex of pyridoxal thiosemicarbazone (H2L) has been characterized by single-crystal X-ray analysis. The Fe atom in the title complex, [Fe(H2L)Cl2(H2O)]Cl, has a distorted octahedral configuration formed by NSO2Cl2 donor set. Six-membered chelate ring significantly deviates from planar form. The crystal structure is stabilized by weak intermolecular C-H…π interaction directed towards the center of the pyridine ring.Physical chemistry 2004 : 7th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 21-23 September 200

Crystal structure of ethylenediammonium-N,N -di-3-propionic acid tetrachloroplatinate(II), (CH2NH2(CH2)(2)COOH)(2)[PtCl4]

C8H18Cl4N2O4Pt, monoclinic, P12(1)/n1 (no. 14), a = 8.181(3) angstrom, b = 10.303(5) angstrom, c = 9.073(6) angstrom, beta = 103.2(1)degrees, V = 744.6 angstrom(3), Z = 2, R-gt(F) = 0.080, wR(ref)(F-2) = 0.247, T = 293 K

Intramolecular C-H⋯π interactions in metal-porphyrin complexes

Cambridge Structural Database (CSD) was screened in order to find intramolecular C-H⋯π interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C-H⋯π interactions in transition metal complexes with derivatives of porphyrin. Comparison of interacting distances indicates that interactions of hydrogen atoms in positions 2 and 6 of axially coordinated pyridine are more favorable with ruffled than with planar porphyrin

Crystal structure of ethylenediammonium-N,N’-di-3-propionic acid tetrachloroplatmate(II), (CH2NH2(CH2)2COOH)2[PtCl4]

C8H18ClN2O4Pt, monoclinic, P121/nl (no. 14), a = 8.181(3) Å, b = 10.303(5) Å, c = 9.073(6) Å, ß = 103.2(1)°, V = 744.6 Å3, Z = 2, Rgt(F) = 0.080, wRref(F2) = 0.247, T = 293 K. © 2014 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München. All rights reserved

Sinteza i kristalna struktura 1,2,3,4-tetrahidro-9-aminoakridin-tetrahlorocinkata(II) monohidrata

In the reaction of ZnCl(2) with tacrine hydrochloride in water novel tetracoordinated (C(13)H(15)N(2))(2)[ZnCl(4)]-H(2)O complex was obtained and characterized by elemental analysis, molar conductivity and X-ray analysis. The complex crystallizes in the space group P-1 of the triclinic crystal system. The structure contains two crystallographically different molecules of protonated tacrine present as counter cations, the [ZnCl(4)](2-) complex anion and one water solvent molecule. The counter cations slightly differ in the puckering of the cyclohexene ring. The molecules of protonated tacrine are involved in different intermolecular hydrogen bonds. In the crystal, the hydrogen bonding generates a 3D assembly. In the crystal, pi center dot center dot center dot pi stacking interactions between the rings of protonated tacrine were evidenced. The [ZnCl(4)](2-) complex anion has a distorted tetrahedral geometry. Three out of the four Cl atoms are involved in intermolecular hydrogen bonding. The intermolecular H-bond interactions involving the Cl atoms affect the Zn-CI bond lengths.U reakciji ZnCl2 sa takrin-hidrohloridom u vodi, dobijen je novi tetrakoordinovani (C13H15N2)2[ZnCl4]?H2O kompleks koji je okarakterisan pomoću elementalne analize, molarne provodljivosti i rendgenske strukturne analize. Kompleks kristališe u prostornoj grupi P?1 trikliničnog kristalnog sistema. Struktura sadrži dva kristalografski različita molekula protonovanog takrina koji su prisutni kao kontra-katjoni, [ZnCl4]2 kompleksni anjon i molekul kristalne vode. Molekuli katjona se neznatno razlikuju u stepenu nabiranja cikloheksenovog prstena. Molekuli protonovanog takrina su uključeni u različite intermolekulske vodonične veze. Intermolekulsko vodonično vezivanje u kristalu generiše 3D molekulski skup pi...pi interakcije između prstenova protonovanog takrina su primećene u kristalu. [ZnCl4]2- ima distorgovanu tetraedarsku geometriju. Tri od četiri Cl atoma su uključena u intermolekulske vodonične veze. Intermolekulske vodonične interakcije koje uključuju Cl atome utiču na dužinu Zn-Cl veza

3-Anilino-1-ferrocenylpropan-1-one

In the title ferrocene derivative, [Fe(C5H5)(C14H14NO)], the dihedral angle between the mean planes of the phenyl ring and the substituted cyclo­penta­dienyl ring is 84.4 (1)°. The mol­ecules are connected into centrosymmetric dimers via N—H⋯O hydrogen bonds. In addition, C—H⋯O and C—H⋯N contacts stabilize the crystal packing

Metal complexes with Schiff-base ligands - pyridoxal and semicarbazide-based derivatives

The most important results of extensive studies (syntheses, spectral, magnetic, voltammetric and structural characteristics and biological activity) of metal complexes with pyridoxal semi-, thiosemi- and isothiosemicarbazones are reviewed

Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C9H7BrN2O (vol 232, pg 507, 2017)

C9H7BrN2O, monoclinic, C2/c (no. 15), a = 16.255(3) angstrom, b = 4.4119(9) angstrom, c = 25.923(5) angstrom, beta = 107.99(3)degrees, V = 1768.2(7) angstrom(3), Z = 8, R-gt(F) = 0.0450, wR(ref)(F-2) = 0.0960, T = 150 K