The coordination ability of the antisecretor agent Famotidine (FMT) was explored using Ni(II) as central ion. [NiFMTH-2] and [Ni(FMT)2]Cl2 were obtained by the solvent evaporation method from the corresponding starting solutions at pH 8 and 4, respectively; the crystal structure was elucidated by single crystal X-ray diffraction in both cases.[NiFMTH-2] resulted in a distorted square-planar geometry, where FMT acts as a tetradentate dianionic ligand through nitrogen atoms belonging to the guanidine group, the thiazolic ring and the side chain, and a sulfur atom from the thioether moiety. [Ni(FMT)2]Cl2 exhibits an octahedral environment composed by two FMT molecules that coordinate by nitrogen atoms deriving from guanidine and thiazole ring moieties, and the thioether sulfur atom. The physicochemical characterization was completed by means of FTIR and UV–Vis spectroscopies, and thermal analysis. Solubility measurements were performed and the results could be satisfactorily correlated with the solvation Gibbs free energy (ΔGsolv) values in aqueous solution obtained using the SDM model by DFT calculations.
Graphic Abstract
Ni(II) and famotidine form an octahedral complex at pH 4 where famotidine acts as a tridentate neutral ligand. In basic medium, it behaves as a tetradentate dianion, resulting in a quasi-planar complex. Spectroscopic and thermal data are consistent with single crystal X-ray diffraction structural elucidation. The relative stabilities were assessed by theoretical studies.
Four new nickel(II) and cobalt(II) complexes of Schiff base ligands: [Ni(L)Cl2]·2H2O (I), [Ni(L)(H2O)2] (NO3)2 (II), [Ni(L)(H2O)2] (ClO4)2 (III), and [Co(L) (H2O)2] (NO3)2 (IV) (L = 1,3-[bis(pyridine-2-imino)]propane) have been synthesized. The four complexes have been fully characterized by elemental
analysis, IR, absorption spectra, emission spectra, and single-crystal X-ray diffraction analysis. The binding of the four
complexes to calf thymus DNA (CT DNA) has been investigated by absorption spectra and emission spectra. The results of the
two methods indicate that the action mode of complex I with DNA is intercalative mainly, and the action mode of complexes II, III, IV with DNA cannot be concluded, it should be sustained by other experimental measurements. 相似文献
A mononuclear cobalt(II) complex [Co(BP)(Cl2)], 1 with a new N,N-bidentate ligand, BP ([N,N-(1,1′-biphenyl-2,2′-dimethylene)]-2-aminomethyl) pyridine) was synthesized and characterized by elemental analysis, UV–Vis,
paramagnetic NMR, magnetic moment and single crystal XRD. The air and moisture stable Co(II) title complex is a 15 electron
species which crystallizes in the monoclinic space group P21/n with cell dimensions a = 10.406(3), b = 12.873(4), c = 13.859(7) ?, β = 96.30(3)˚ and Z = 4. The cobalt atom has distorted tetrahedral (td) geometry with coordination provided by an amine and pyridyl nitrogen
donors of BP and two terminal chloride ions. The packing is stabilized through C–H···π and van der Waals interactions. 相似文献
Abstract Two new complexes, [Cu(L)2(CH3OH)] · (ClO4)2 (1) and [Cu(L)2(H2O)] · (NO3)2 (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L = 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine].
The complex 1 crystallizes in the monoclinic, space group C2/c, and the coordination configuration of copper (II) is better described as trigonal pyramidal geometry with four N atoms from
L and one Omethanol. The coordination configuration of 2 is quite similar to that of 1 except Owater instead of Omethanol. The intermolecular hydrogen bonds link the repeat units and extend the molecules to multinuclear structures in both compounds.
The spectral properties of the title compounds have been studied and discussed. Furthermore, the antibacterial activities
of the title compounds have been detected, the results indicate that the ligands and two copper(II) complexes exhibit certain
fungicidal activities again several bacteria.
Index Abstract Two new complexes, [Cu(L)2(CH3OH)]·(ClO4)2 (1) and [Cu(L)2(H2O)]·(NO3)2 (2), have been synthesized and their crystal structures
have been determined by X-ray analysis, where L= 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine. The intermolecular hydrogen
bonds extend the molecules to multinuclear structures in both compounds.
相似文献
The synthesis, thermal and spectral characterization, and crystal structure of isomorphous thiocyanate cobalt(II) and nickel(II)
complexes with 3-hydroxypicolinamide (3-OHpia), [M(C6H6N2O2)2(NCS)2]·2H2O, are reported. The metal(II) ions are chelated by two cis-oriented 3-OHpia and two thiocyanate ligands in distorted octahedral geometry. The distortion within the coordination sphere
is mainly imposed by formation of the chelate rings. The compounds crystallize in monoclinic space group P2/c with two symmetrically independent molecules and a = 14.4945(2) ?, b = 8.5906(1) ?, c = 16.3865(3) ?, β = 105.987(2)°, Z = 4 (1) and a = 14.4927(5) ?, b = 8.5912(3) ?, c = 16.2712(6) ?, β = 105.740(4)°, Z = 4 (2). Commonly observed supramolecular amide synthons are not robust enough to accommodate thiocyanate ions and H2O molecules. But instead, neutral complexes are linked through hydrogen bonds leading to two different hydrogen bonding ribbon
motifs involving amide moieties and H2O molecules [C(8)R22(12) along c axis] and amide moieties and thiocyanate ions [C(8)R22(16) along b axis] for symmetrically related molecules labelled as 1 [Co1 (1) and Ni1 (2)] and 2 [Co2 (1) and Ni2 (2)], respectively. 相似文献
Abstract The three complexes (pnH2)[Co(pydc)2]·4H2O 1, (pnH2)[Cu(pydc)2]·4H2O 2, and (pnH2)[Cd(pydc)2]·3.5H2O 3 (pn: propane-1,3-diamine, pydc: pyridine-2,6-dicarboxylate) were prepared using a proton transfer compound (pnH2)(pydc)·(pydcH2)·2.5H2O, LH2 and corresponding metallic salts. The characterization was carried out using elemental analysis, IR and NMR spectroscopy,
and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in space group P
, but complex 3 crystallizes in space group P2/c. Cell parameters of the complexes are a = 8.449(1) ?, b = 11.668(1) ?, c = 12.801(1) ?, α = 115.748(2)°, β = 93.038(2)°, γ = 97.867(2)° for 1; a = 7.973(2) ?, b = 16.632(2) ?, c = 25.280(5) ?, α = 94.178(6)°, β = 95.186(6)°, γ = 91.603(5)° for 2 and a = 20.055(1) ?, b = 13.8161(9) ?, c = 8.2418(5) ?, β = 100.086(1)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In structures of 2 and 3, it can be seen that propane-1,3-diaminium fragments have different conformations. The complexes have ion-pairing interactions,
O–H···O, N–H···O and C–H···O hydrogen bonds, π–π stacking as well as van der Waals forces as the main factors in formation
of their supramolecular structures.
Index Abstract
Supramolecular Cobalt(II), Copper(II) and Cadmium(II) Complexes Obtained from a Proton Transfer Compound including Pyridine-2,6-dicarboxylate
and Propane-1,3-diaminium Ions; Synthesis, Characterization and Crystal Structure
Hossein Aghabozorg, Mohammad Ghadermazi,Bahar Nakhjavan, Faranak Manteghi
The synthesis, characterization, crystal structure and non-covalent interactions of three supramolecular complexes of Co(II),
Cu(II) and Cd(II) obtained by the reaction of a proton transfer compound i.e. (pnH2)(pydc)·(pydcH2)·2.5H2O with the corresponding metallic salts are reported.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
A new Schiff base ligand of 1-(2, 6-dichlorobenzylidene)-4-phenylthiosemicarbazide(C14H11Cl2N3S) has been synthesized, which crystallizes in monoclinic, space group C2/c with a = 18.551(7) ?, b = 6.963(3) ?, c = 23.185(9) ? and β = 93.122(6)o. The reaction of this ligand with NiAc2·4H2O gives two different Ni(II) complexes, one is general traditional mononuclear and another is unexpected trinuclear, where
another quadridentate ligand of 1-(amino-N-phenylmethanethio)-4-phenyl-thiosemicarbazide(C14H14N4S2) is found. The mononuclear complex (C32H26Cl4N8NiS2) crystallizes in triclinic, space group P−1 with a = 11.071(2) ?, b = 11.157(2) ?, c = 15.302(3) ?, α = 76.214(2)o, β = 87.902(2)o and γ = 79.586(3)o. The trinuclear complex (C60H50Cl4N16Ni3S6) crystallizes in orthorhombic, space group Pbcn with a = 19.673(3) ?, b = 16.094(3) ? and c = 20.465(4) ?. In above three compounds, there are some hydrogen bonds which help to construct the three dimensional net
works and stabilize the molecular structures. 相似文献
A new Co(II) complex 2 with ligand 4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl) butane-1,3-dione 1 and pyridine are prepared and crystallized from an acetone solution. The obtained red and transparent crystal conforms to
the empirical formula of Co(C15H10O3F3)2·(C5H5N)2. It crystallizes in monoclinic, space group C2/c with a = 23.3152(14), b = 12.0225(7), c = 15.3950(10) ?, β = 124.1360(10)°, V = 3571.8(4) ?3, Z = 4, C40H30CoF6N2O6, Mr = 807.59, F(000) = 1652, Dc = 1.502 g/cm3, μ = 0.564 mm−1, the final R = 0.0466 and wR = 0.1043 for 3901 observed reflections with I > 2σ(I). X-ray structural analysis revealed that the Co(II) atom is coordinated by two oxygen atoms of 1,3-dione ligands
1 and two nitrogen atoms of pyridines, forming a distorted octahedron coordination geometry. 相似文献
Abstract The cobalt(II) complex, [Co(abz)2(SCN)2] 1, has been synthesized by the reaction of cobalt(II) nitrate with ammonium thiocyanate and abz ligands (abz = 2-aminobenzimidazole),
and was fully structurally characterized by elemental analysis, IR spectra, X-ray diffraction and thermogravimetric experiments.
It crystallizes in the triclinic P-1 space group with a = 8.6316(10), b = 9.3426(10), c = 13.254(2) ?, α = 95.793(2), β = 95.870(2), γ = 115.7380(10), V = 945.1(2) ?3, and Z = 2. The central cobalt(II) atom is four-coordinated to nitrogen donors from two neutral abz ligands and two isothiocyanate
anions respectively, adopting a slightly distorted tetrahedral geometry. In addition, the intermolecular N–H···N and N–H···S
hydrogen bonds interactions link the discrete mononuclear units into infinite three-dimensional networks.
Index Abstract The essence sentence of the paper: In the mixed-ligand mononuclear complex, [Co(abz)2(SCN)2], the four coordinated cobalt(II) atom exhibits a slightly distort tetrahedron, which is further assembled into 3D infinite
network by intermolecular hydrogen interactions.
相似文献
Assembly of orotic acid (2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, H3dtpc) and Cd(OAc)2·2H2O gave rise to two complexes [Cd2(H2dtpc)2(H2O)6] (I) and [Cd(H2dtpc)(bpy)(H2O)]n (II) (bpy = 2,2′-bipyridine). Complex (I) and (II) have been characterized by X-ray single crystal diffraction, IR, PXRD, TGA and fluorescence spectra. Structural analyses
reveal that (I) is a binuclear structure, and complex (II) possesses a one-dimensional infinite zig-zag chain architecture and the chains are further assembled into 2D supramolecular
network by strong hydrogen bonding interactions. Crystal data for (I): Monoclinic, space group P2(1)/n, a = 9.3221(19) ?, b = 6.6315(13) ?, c = 15.322(3) ?, β = 102.31(3)°, V = 925.4(3) ?3, Z = 4, R1 = 0.0269, and wR2 = 0.0604; for (II): Monoclinic, space group P2(1)/c, a = 9.9880(2) ?, b = 14.5085(2) ?, c = 11.6957(2) ?, β = 107.976(2)°, V = 1612.10(5) ?3, Z = 4, R1 = 0.0234 and wR2 = 0.0554. 相似文献
Two manganese(II) complexes, [Mn2(L)(H2O)4]Cl2·6H2O(1) and [Mn2L(NCS)2(H2O)2]·3H2O(2) (L is 1,2,4-triazolato)-4,12,17,25-tetramethyl-1,2,5,8,11,14,15,18,21,24-decaza-4,11,17,24-cyclohexaeicosatetraene) have
been prepared by template synthesis method. They are characterized by elemental analysis and IR. Single-crystal X-ray analysis
reveals that complex (1) crystallizes in space group P 21/c with a = 8.710(3), b = 14.720(5), c = 14.301(5) ?, α = 90, β = 105.801(14), γ = 90°. The complex [Mn2(L)(H2O)4]Cl2·6H2O consists of two manganese(II) macrocyclic complexes in which two Mn(II) centers are linked by two triazolate units of the
macrocyclic framework. Each manganese(II) ion is coordinated by five nitrogen atoms from the macrocycle and two oxygen atoms
of the coordinated water. The manganese(II) center is in an approximately pentagonal-bipyramidal environment. The SOD activities
of both complexes have also been investigated. 相似文献
The crystal structures of 1,4,7,10,13,16-hexaoxa-cyclooctadecane dicyano mercury(II) monohydrate, C14H24HgN2O6·H2O, 1, and 2,5,8,11,18,21,24,27-octaoxa-tricyclo[26.4.0.012,17]-dotriconta-1(28),12,14,16,29,31-hexaene dicyano mercury(II) monohydrate, C26H32HgN2O8·H2O, 2, were determined: 1 crystallizes in the trigonal space group R3¯ with cell dimensions a = 11.7842(1) and c = 12.0316(1) Å. 2 crystallizes in the monoclinic space group P21/c with cell dimensions a = 11.156(3) Å, b = 8.417(2), c = 30.901(8) Å, and = 93.279°. In spite of the different cyclic systems, similar complexes are formed where the Hg atom is coordinated by two CN groups and six oxygen atoms of the crown ether. The structure of 1 is isostructural with the crystal structures of 18C6—HgCl2, 18C6—CdBr2, 18C6—Sr(BH4)2, and 18C6—Ba(BH4)2. Furthermore, 1 is very similar to other 18C6—HgX2 complexes. 相似文献