scholarly journals Synthesis, Characterization, Crystal Structures, and Urease Inhibition of Copper(II) and Zinc(II) Complexes Derived from Benzohydrazones

2020 ◽  
Vol 67 (4) ◽  
pp. 1155-1162
Author(s):  
Fu-Ming Wang ◽  
Li-Jie Li ◽  
Guo-Wei Zang ◽  
Tong-Tong Deng ◽  
Zhong-Lu You
Keyword(s):  
Single Crystal ◽  
Urease Inhibition ◽  
X Ray Diffraction ◽  
Inhibitory Effects ◽  
Strong Activity ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Metal Atoms ◽  
Vis Spectroscopy ◽  
Crystal Structural

A new copper(II) complex [Cu(L1)(NCS)(CH3OH)] (1) and a new zinc(II) complex [ZnCl2(HL2)] · CH3OH (2), derived from 4-bromo-N’-(pyridin-2-ylmethylene)benzohydrazide (HL1) and 4-methoxy-N’-(pyridin-2-ylmethylene)benzohydrazide (HL2), were prepared and characterized by elemental analysis, IR and UV-Vis spectroscopy and single crystal X-ray diffraction. The hydrazone HL1 coordinates to the Cu atom in enolate form, while the hydrazone HL2 coordinates to the Zn atom in carbonyl form. Single crystal structural analyses indicate that the hydrazones coordinate to the metal atoms through the pyridine N, imino N, and enolate/carbonyl O atoms. The Cu atom in complex 1 is in square pyramidal coordination, and the Zn atom in complex 2 is in trigonal-bipyramidal coordination. The inhibitory effects of the complexes on Jack bean urease were studied, which show that the copper complex has strong activity on urease.

scholarly journals A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60

2020 ◽  
Author(s):  
Viktoria Leonhardt ◽  
Stefanie Fimmel ◽  
Ana-Maria Krause ◽  
Florian Beuerle
Keyword(s):  
Mass Spectrometry ◽  
Single Crystal ◽  
High Selectivity ◽  
Shadow Mask ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Cage Compound ◽  
Vis Spectroscopy ◽  
Regioselective Functionalization

<div><div><div><p>A trigonal-bipyramidal covalent organic cage compound serves as an efficient host to form stable 1:1-complexes with C60 and C70. Fullerene encapsulation has been comprehensively studied by NMR and UV/Vis spectroscopy, mass spectrometry as well as single-crystal X-ray diffraction. Exohedral functionalization of encapsulated C60 via threefold Prato reaction revealed high selectivity for the symmetry-matched all-trans-3 addition pattern.</p></div></div></div>

scholarly journals Syntheses, Crystal Structures, and Antibacterial Activity of New Tetranuclear Zinc(II) Complexes with Schiff Base Ligands

2021 ◽  
Vol 68 (3) ◽  
pp. 638-644
Author(s):  
Heng-Yu Qian
Keyword(s):  
Antibacterial Activities ◽  
Bacterial Strains ◽  
X Ray Diffraction ◽  
X Ray ◽  
E Coli ◽  
Mtt Method ◽  
Trigonal Bipyramidal ◽  
Vis Spectroscopy ◽  
Crystal Structural ◽  
L1 And L2

Two new tetranuclear zinc(II) complexes, [Zn4(L1)2(μ2-η1:η1-CH3COO)4(μ1,1-N3)2] (1) and [Zn4(L2)4(CH3CH2OH) (H2O)] (2), where L1 and L2 are the deprotonated forms of 4-fluoro-2-((pyridin-2-ylmethylimino)methyl)phenol (HL1) and 4-fluoro-2-((2-(hydroxymethyl)phenylimino)methyl)phenol (H2L2), have been synthesized and characterized by elemental analysis, IR and UV-vis spectroscopy, and single crystal X-ray diffraction. X-ray crystal structural study indicated that the distances between the adjacent Zn atoms are 3.160(1)–3.353(1) Å in 1 and 3.005(1)–3.168(1) Å in 2. All zinc atoms in 1 are pentacoordinated in trigonal bipyramidal geometry, and those in 2 are in square pyramidal and octahedral geometry. The complexes and the Schiff bases were assayed for antibacterial activities against three Gram-positive bacterial strains (B. subtilis, S. aureus, and St. faecalis) and three Gram-negative bacterial strains (E. coli, P. aeruginosa, and E. cloacae) by MTT method.

scholarly journals A Covalent Organic Cage Compound Acting as a Supramolecular Shadow Mask for the Regioselective Functionalization of C60

2020 ◽  
Author(s):  
Viktoria Leonhardt ◽  
Stefanie Fimmel ◽  
Ana-Maria Krause ◽  
Florian Beuerle
Keyword(s):  
Mass Spectrometry ◽  
Single Crystal ◽  
High Selectivity ◽  
Shadow Mask ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Cage Compound ◽  
Vis Spectroscopy ◽  
Regioselective Functionalization

<div><div><div><p>A trigonal-bipyramidal covalent organic cage compound serves as an efficient host to form stable 1:1-complexes with C60 and C70. Fullerene encapsulation has been comprehensively studied by NMR and UV/Vis spectroscopy, mass spectrometry as well as single-crystal X-ray diffraction. Exohedral functionalization of encapsulated C60 via threefold Prato reaction revealed high selectivity for the symmetry-matched all-trans-3 addition pattern.</p></div></div></div>

Die neuen Oxobismutate(III) Cs6Bi4O9, K9Bi5O13 und A2Bi4O7 (A = Rb, Cs) / The New Oxobismutates(III) Cs6Bi4O9, K9Bi5O13 and A2Bi4O7 (A = Rb, Cs)

2002 ◽  
Vol 57 (10) ◽  
pp. 1090-1100
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Mixed Valence ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Mixed Valence Compound

AbstractThe title compounds were synthesized at a temperature of 700 °C via oxidation of elemental Bi with the hyperoxides AO2 or via reaction of the elemental alkali metals A with Bi2O3. Their crystal structures have been determined by single crystal x-ray diffraction. They are dominated by two possible surroundings of Bi by O, the ψ-trigonal-bipyramidal three (B) and the ψ-tetrahedral four (T) coordination. Cs6Bi4O9 (triclinic, spacegroup P1̄, a = 813.82(12), b = 991.60(14), c = 1213.83(18) pm, α = 103.658(2), β = 93.694(3), γ = 91.662(3)°, Z = 2) contains centrosymmetric chain segmentes [Bi8O18]12- with six three- (T) and two four-coordinated (B) Bi(III) centers. K9Bi5O13 (monoclinic, spacegroup P21/c, a = 1510.98(14), b = 567.59(5), c = 2685.6(2) pm, β = 111.190(2)°, Z = 4) is a mixed valence compound with isolated [BivO4]3- tetrahedra and chains [BiIII4O9]6- of two T and two B coordinated Bi. In the compounds A2Bi4O7 (A = Rb/Cs: monoclinic, C2/c, a = 2037.0(3) / 2130.6(12), b = 1285.5(2) / 1301.9(7), c = 1566.6(2) / 1605.6(9) pm, β = 94.783(3) / 95.725(9)°, Z = 8) ribbons [Bi4O6O2/2]2- are formed, which are condensed to form a three-dimensional framework.

The modulated structure of the calcium aluminate Ca6(AlO2)12·Bi2O3

2010 ◽  
Vol 66 (6) ◽  
pp. 585-593 ◽  
Author(s):  
O. Pérez ◽  
S. Malo ◽  
M. Hervieu
Keyword(s):  
Single Crystal ◽  
Calcium Aluminate ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Electron Pairs ◽  
Modulated Structure ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Superspace Formalism ◽  
Single Crystal Analysis

Bismuth calcium aluminate, Bi2Ca6Al12O27, has been prepared as a ceramic and a single crystal. Analysis of reciprocal space using both electron and X-ray diffraction show an R-centred hexagonal unit cell: a = b = 17.3892 (4), c = 6.986 (1) Å. Additional weak reflections are observed; they require the introduction of a modulation wavevector q = 0.0453 (2)c* for indexing. The modulated structure has been solved using the superspace formalism [superspace group X\overline{3}(00\gamma)0]. A framework of corner-sharing AlO4 tetrahedra forms corrugated sixfold rings and uncommon triple rings. The Ca2+ cations exhibit an eightfold coordination sphere; edge-sharing CaO8 polyhedra form intertwinned zigzagging rows along c creating a three-dimensional net. Bi atoms are located in large hexagonal tunnels parallel to c and form Bi2O3 pairs, which adopt a trigonal bipyramidal configuration. The 6s 2 lone-electron pairs (Lp) point along c, in the opposite direction to the three Bi—O strong bonds to form two BiO3Lp tetrahedra with a common base. Different orientations of the Bi2O3Lp2 pairs, rotated by 60° around c, are observed. Their stacking modes in each of the hexagonal tunnels are described. The sequence of the stacking varies along c in each of the tunnels.

scholarly journals Studies on the growth and characterization of L-cysteine hydrogen fluoride single crystal

2019 ◽  
Vol 37 (3) ◽  
pp. 304-309
Author(s):  
Azeezaa Varsha Mohammed ◽  
Suresh Sagadevan
Keyword(s):  
Single Crystal ◽  
Hydrogen Fluoride ◽  
Grown Crystal ◽  
Optical Band Gap ◽  
Second Harmonic ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir

AbstractL-cysteine hydrogen fluoride (LCHF) single crystals were grown from aqueous solution. Single crystal X-ray diffraction, FT-IR, UV-Vis-NIR, and TG-DTA were used to test the grown crystals. The specimen dielectric and mechanical behaviors were also studied. Powder X-ray diffraction of the grown crystal was recorded and indexed. The optical properties of the LCHF crystal were determined using UV-Vis spectroscopy. It was found that the optical band gap of LCHF was 4.8 eV. The crystal functional groups were identified using FT-IR. Second harmonic generation (SHG) efficiency of the LCHF was three times higher than that of KDP. The dielectric constant, dielectric loss and AC conductivity were measured at different frequencies and temperatures.

Synthesis of Novel Tetracarboxylato Dirhenium(III) Compounds and Crystal Structure of [Re2(1-Adamantylcarboxylate)4Cl2] · 4 CHCl3

2001 ◽  
Vol 56 (4-5) ◽  
pp. 381-385 ◽  
Author(s):  
Alexander V. Shtemenko ◽  
Alexander A. Golichenko ◽  
Konstantin V. Domasevitch
Keyword(s):  
Coordination Compounds ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Quadruple Bond ◽  
Metal Atoms ◽  
Vis Spectroscopy ◽  
Related Compounds ◽  
Van Der Waals Contacts

Abstract The coordination compounds o f the general formula Re2 (L)4X2 (X = Cl, Br; L = 1 -adamantyl-carboxylate and 1 -adamantylacetate) have been prepared and characterized by means of UV-VIS spectroscopy (20000 cm-1 , δ → δ*). The crystal and molecular structure of Re2(AdCOO)4Cl2 · 4 CHCl3 solvate was determined by X-ray diffraction. The units Re2(AdCOO)4Cl2 adopt a centrosymmetric dinuclear array with each metal atom coordinated in a distorted octahedron comprising one rhenium and one chlorine atoms (Re-Cl 2.505(2) Å) and four carboxylate oxygen atoms in the equatorial plane. The rhenium-rhenium separation of 2.2300(5) Å corresponds to quadruple bond between the metal atoms. All R e-0 bonds have an almost uniform length (2.017(4) -2.032(4) Å) and do not differ essentially from the parameters reported for related compounds. The closest environment of the Re2(AdCOO)4Cl2 molecules in the crystal comprises weak Cl---HC hydrogen bonds with the chloroform molecules and significantly shortened van der Waals contacts Cl---Cl, 3.46 Å.

Dimerization of indenocorannulene radicals: imposing stability through increasing strain and curvature

2020 ◽  
Vol 7 (22) ◽  
pp. 3591-3598 ◽  
Author(s):  
Andrey Yu. Rogachev ◽  
Yikun Zhu ◽  
Zheng Zhou ◽  
Shuyang Liu ◽  
Zheng Wei ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Electron Reduction

One-electron reduction of bowl-shaped indenocorannulene affords a new stable dimeric dianion, as confirmed by single-crystal X-ray diffraction, NMR and UV-vis spectroscopy, and DFT calculations.

Synthesis and Orientation of Poly(Dialkylstannane)s

2007 ◽  
Vol 1007 ◽  
Author(s):  
Fabien Choffat ◽  
Sara Fornera ◽  
Paul Smith ◽  
Walter Caseri
Keyword(s):  
Reaction Rate ◽  
Polarized Light ◽  
X Ray Diffraction ◽  
Tensile Drawing ◽  
Covalent Bonds ◽  
X Ray ◽  
Metal Atoms ◽  
Alkyl Groups ◽  
Vis Spectroscopy ◽  
Linear Poly

ABSTRACTPolystannanes, i.e. organometallic polymers of the chemical formula (SnR2)n, are relatively little explored, although they belong to the rare examples of polymers which are characterized by a backbone of metal atoms which are linked by covalent bonds. We developed a new synthetic route which yields pure linear poly(dibutylstannane) [Sn(Bu)2]n by polymerization of dibutylstannane (dibutyltin dihydride) with the catalyst [RhCl(PPh3)3]. Here, we report that the conversion and the reaction rate of dibutylstannane depends crucially on the temperature and [RhCl(PPh3)3] is also suited for the polymerization of dioctylstannane and didodecylstannane. The polymers thus obtained were characterized by 1H, 13C and 119Sn NMR spectroscopy: Orientation of all polystannanes was achieved by tensile drawing. The orientation was examined by UV-vis spectroscopy with polarized light and X-ray diffraction. Remarkably, the orientation of the backbone depended on the length of the alkyl groups.

Synthesis, characterization and electrochemistry of bismuth porphyrins: X-ray crystal structure of (OEP)Bi(SO3CF3)

2000 ◽  
Vol 04 (03) ◽  
pp. 261-270 ◽  
Author(s):  
LYDIE MICHAUDET ◽  
DOMINIQUE FASSEUR ◽  
ROGER GUILARD ◽  
ZHONGPING OU ◽  
KARL M. KADISH ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Electrostatic Interactions ◽  
Free Base ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Vis Spectroscopy ◽  
Bismuth Salts ◽  
Porphyrin Macrocycles

The metalation of several free base porphyrins by the bismuth salts Bi(NO3)3 and Bi(SO3CF3)3 in DMF or pyridine is described. The resulting stable Bi(III) porphyrin complexes are characterized by electrochemistry, 1H NMR and UV-vis spectroscopy. The structure of ( OEP ) Bi ( SO 3 CF 3) was also determined by single-crystal X-ray diffraction and shows that ( OEP ) Bi ( SO 3 CF 3) exists as a dimer which is stabilized by electrostatic interactions in which the two [(OEP)Bi]+ cations are linked via oxygen atoms of two symmetrically related [Formula: see text] anions, leading to a heptacoordinated bismuth center. Electrochemical oxidation of ( OEP ) Bi ( SO 3 CF 3) and ( T p TP ) Bi ( SO3CF3 ) shows that only the porphyrin macrocycles are oxidized.

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