Design and synthesis of novel pyrazoline derivatives for their spectroscopic, single crystal X-ray and biological studies

2021 ◽  
Vol 1234 ◽  
pp. 130131
Author(s):  
Mohammad Asad ◽  
Salman A. Khan ◽  
Muhammad Nadeem Arshad ◽  
Abdullah M. Asiri ◽  
Mohd Rehan
2019 ◽  
Vol 31 (8) ◽  
pp. 1755-1761
Author(s):  
K. Naresh ◽  
B.N. Sivasankar

A new copper complex of pyridine-2,6-dicarboxylate containing hydrazinium cation, formulated as (N2H5)2[Cu(PDC)2]·4H2O (PDC = pyridine-2,6-dicarboxylate) has been synthesized from copper(II) nitrate, hydrazine hydrate and pyridine-2,6-dicarboxylic acid as a single crystal and characterized by elemental analysis and spectroscopic (IR and UV-visible), thermal (TG/DTG), single crystal X-ray diffraction and biological studies. A six-coordinate complex with a distorted octahedral geometry around Cu(II) ion is proposed and confirmed by X-ray single crystal method. The structure reveals that two pyridine-2,6-dicarboxylate species acting as tridentate ligands and hydrazinium cation present as a counter ion along with non-coordinated four water molecules. The structural units of copper(II) is mutually held by the hydrogen bonds and π···π and C–O···π interactions. The copper(II) complex is connected to one another via O–H···O hydrogen bonds, forming water clusters, which plays an important role in the stabilization of the crystal structure. In the water clusters, the water molecules are trapped by the cooperative association of coordination interactions as well as hydrogen bonds. Both cation and anion interactions and crystal from various types of intermolecular contacts and their importance were explored using Hirshfeld surface analysis. This indicates that O···H/H···O interactions are the superior interactions conforming excessive H-bond in the molecular structure. The interaction of copper(II) complex with calf thymus DNA (CT-DNA) was investigated by electronic absorption spectroscopic technique. The electronic evidence strongly shows that the compound interacts with calf thymus through intercalation with a binding constant of Kb = 5.7 × 104 M–1.


2011 ◽  
Vol 2011 ◽  
pp. 1-7 ◽  
Author(s):  
L. A. Saghatforoush ◽  
L. Valencia ◽  
F. Chalabian ◽  
Sh. Ghammamy

A new Cd(II) complex with the ligand 4′-chloro-2,2′6′,2′′-terpyridine (Cltpy), [Cd(Cltpy)(I)2], has been synthesized and characterized by CHN elemental analysis,1H-NMR,13C-NMR, and IR spectroscopy and structurally analyzed by X-ray single-crystal diffraction. The single-crystal X-ray analyses show that the coordination number in complex is five with three terpyridine (Cltpy) N-donor atoms and two iodine atoms. The antibacterial activities of Cltpy and its Cd(II) complex are tested against different bacteria.


Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 657
Author(s):  
Jian-Chang Xiao ◽  
Qiong Wu ◽  
Yuan Lei ◽  
Jin-Rong Sun ◽  
Fang Jiang ◽  
...  

The design and synthesis of magnets with low dimensionality is currently an attractive research topic. The reaction of a Schiff base metal complex with simple molybdate has led to the formation of a new {MnIII-Schiff-base}-decorated molybdate heterometallic cluster, [{Mn(salpn)(H2O)}3MoO4](CH3COO)·2H2O (1) (salpn = N,N’-(1,3-propylene)bis(salicylideneiminate)). The hybrid aggregate was characterized using a range of methods including elemental analysis, single crystal x-ray diffraction, Infrared spectra (IR) spectroscopy, and x-ray structural analysis. The crystals of 1 are hexagonal: P63/m, a = 14.027(5) Å, c = 17.487(5) Å, V = 1142.6(3) Å3. Structural analyses indicate that we report on the preparation of the first triple metallic-oligomer held by orthomolybdate. Density functional theoretical calculation (DFT) studies have been performed to calculate electronic structure and potential energy landscapes. Additionally, the magnetic property of 1 indicates an antiferromagnetic coupling between the metal centers in the complex.


2018 ◽  
Vol 74 (2) ◽  
pp. 218-223 ◽  
Author(s):  
Ning-Ning Ji ◽  
Zhi-Qiang Shi ◽  
Hai-Liang Hu

The design and synthesis of coordination polymers with a self-penetrating architecture has attracted much interest not only due to their interesting structures but also due to their potential applications. 5,5′-Bis(pyridin-4-yl)-2,2′-bithiophene (bpbp), as a conjugated bithiophene ligand, can exhibit trans and cis conformations and this can lead to the construction of a self-penetrating architecture. In addition, the semi-rigid ancillary ligand 4,4′-oxybis(benzoic acid) (H2oba) can adopt different coordination modes, resulting in coordination polymers with high-dimensional skeletons. A new CdII coordination polymer based on mixed ligands, namely poly[diaquapentakis[μ-5,5′-bis(pyridin-4-yl)-2,2′-bithiophene-κ2 N:N′]bis(nitrato-κ2 O,O′)tetrakis(μ3-4,4′-oxydibenzoato)-κ10 O:O,O′:O′′,O′′′;κ6 O:O′:O′′-pentacadmium(II)], [Cd5(C14H14O5)4(NO3)2(C18H12N2S2)5(H2O)2] n , (I), has been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction, IR spectroscopy and elemental analysis. Single-crystal X-ray diffraction indicates that there are three crystallographically independent CdII cations, three bpbp ligands, two deprotonated oba2− ligands, one nitrate ligand and one coordinated water molecule in the asymmetric unit. One CdII centre is seven-coordinated, exhibiting a distorted {CdN2O5} pentagonal bipyramidal geometry, while the other two Cd centres are both six-coordinated, showing slightly distorted {CdN2O4} octahedral geometries. The most interesting feature is the co-existence of trans and cis conformations in a single net, allowing structural interpenetration via self-threading and yet the expected self-penetrating structure was obtained. Topological analysis shows that the whole three-dimensional framework can be classified as a 3-nodal (4,6,6)-c net with Schläfli symbol {613.82}2{66}, which is a new topology. Furthermore, the luminescence properties of (I) were examined in the solid state at room temperature.


2020 ◽  
Vol 842 ◽  
pp. 223-230
Author(s):  
Jian Chang Xiao ◽  
Jun Li ◽  
Jin Rong Sun ◽  
Yan Xu ◽  
Fang Jiang ◽  
...  

Design and synthesis of supramolecular hybrids with low dimensionality is currently an attractive research topic. The reaction of Schiff base metal complex with isopolymolybdate leads to the isolation of a new isopolymolybdate based supramolecular hybrid, [Mn(salen)(H2O)2]2[Mo8O26]Na2·2H2O (1) (salen = N,N'-bis(salicylidene)ethylenediamine). The supramolecular hybrid was characterized by single crystal X-ray structure analyses, elemental analyses and X-ray crystallography. Crystal data for 1: triclinic, P-1, a=10.0206(8)Å, b = 11.7416(10)Å, c= 13.1494(13)Å, V = 1382.8(2)Å3, Z= 1, Rgt(F) = 0.0353 and wRref(F2) = 0.1009. Structural analyses reveal that 1 represents the first example of [Mo8O26]4- chains formed POM-Schiff-base hybrid. Hirshfeld surface analysis and fingerprint plots are used for decoding intermolecular interactions in 1. Additionally, magnetic property of 1 indicates that there is an antiferromagnetic coupling between the metal centers in the complex.


Synlett ◽  
2021 ◽  
Author(s):  
Benjamin List ◽  
Denis Höfler ◽  
Karl Kaupmees ◽  
Ivo Leito

We report the design and synthesis of a strong, chiral, enantiopure sulfoxide-based C–H acid. Single crystal X-ray analysis confirms the proposed structure and its absolute configuration. The new motif shows a high acidity and activity in Brønsted and Lewis acid catalyzed transformations. So far, only low enantioselectivities were achieved.


Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3725
Author(s):  
Alexandra T. Shulyak ◽  
Evgeniy O. Bortnikov ◽  
Alexey S. Kubasov ◽  
Nikita A. Selivanov ◽  
Alexey A. Lipengolts ◽  
...  

The interaction of hafnium(IV) salts (oxide-dichloride, chloride, and bromide) with nitrilotriacetic acid (NTA), diethylenetriamminepentaacetic acid (DTPA), 1,2-diaminocyclohexanetetraacetic acid (CDTA), 1,3-dipropylmino-2-hydroxy N,N,N′,N′-tetraacetic acid (dpta), and N-(2-hydroxyethyl)ethylenediamine triacetic acid (HEDTA) has been studied. The corresponding complexes Na2[Hf(NTA)2]·3H2O (1), Na[HfDTPA]·3H2O (2), [HfCDTA(H2O)2] (3), and Na[Hf2(dpta)2]·7.5H2O·0.5C2H5OH (4) have been isolated and characterized and their structures have been determined by single crystal X-ray diffraction. Biological studies of [HfCDTA(H2O)2] have shown that in 5% glucose solution this complex has low toxicity and good contrasting ability.


Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.


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