Interaction of a gold(i) dicarbene anticancer drug with human telomeric DNA G-quadruplex: solution and computationally aided X-ray diffraction analysis

2018 ◽  
Vol 47 (45) ◽  
pp. 16132-16138 ◽  
Author(s):  
Federica Guarra ◽  
Tiziano Marzo ◽  
Marta Ferraroni ◽  
Francesco Papi ◽  
Carla Bazzicalupi ◽  
...  
Keyword(s):  
Solid State ◽  
Diffraction Analysis ◽  
Anticancer Drug ◽  
Clear Picture ◽  
X Ray Diffraction ◽  
Telomeric Dna ◽  
State Data ◽  
X Ray ◽  
Anticancer Properties ◽  
G Quadruplex

Solution and solid-state data give a quite clear picture for a bis carbene gold(i) complex having perspective anticancer properties.

Bindung von Metall-Ionen an Dipeptide: Struktur von Thallium(I)-(3-benzyl-6-carboxylatomethyl-2,5-diketopiperazin) / Binding of Metal Ions by Dipeptides: Structure of Thallium(I) 3-Benzyl-6-carboxylatomethyl-2,5-diketopiperazine

1992 ◽  
Vol 47 (7) ◽  
pp. 952-956
Author(s):  
P. Mikulcik ◽  
P. Bissinger ◽  
J. Riede ◽  
H. Schmidbaur
Keyword(s):  
Solid State ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Carbonyl Oxygen ◽  
State Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystalline Product ◽  
Oxygen Atoms

Ester cleavage of aspartame (L-α-aspartyl-L-phenylalanine methylester) (1), by equimolar quantities of thallium ethoxide is accompanied by intramolecular cyclisation to give thallium 3-benzyl-6-(carboxylatomethyl)-2,5-dioxopiperazine (2). The solid state structure of the crystalline product was determined by single-crystal X-ray diffraction analysis. The cations were found to form four short and four elongated contacts to seven oxygen atoms and one nitrogen atom of a total of six neighbouring 3-benzyl-6-(carboxylatomethyl)-2,5-dioxopiperazine anions. There are inter-anionic hydrogen bonds only between the imino groups and the carbonyl oxygen atoms (O3, O4), featuring a pattern similar to that found for cytosine-guanosine contacts in DNA.

A new aspect of the “pseudo water” concept of bis(trimethylsilyl)carbodiimide – “pseudohydrates” of aluminum

2018 ◽  
Vol 73 (11) ◽  
pp. 911-918
Author(s):  
Katrin Krupinski ◽  
Erica Brendler ◽  
Robert Gericke ◽  
Jörg Wagler ◽  
Edwin Kroke
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
Quantum Chemical ◽  
Metal Salt ◽  
Similar Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Positional Disorder ◽  
Cp Mas Nmr

AbstractBis(trimethylsilyl)carbodiimide (BTSC), so-called “pseudo water” because of some analogies such as similar (group)electronegativities of Me3Si– vs. H– and –N=C=N– vs. –O–, may form two different kinds of “pseudo hydrates” of metals (M), i.e. M–N(SiMe3)=C=N(SiMe3) and M–N≡C–N(SiMe3)2, derived from its carbodiimide and cyanamide isomeric forms, respectively. With anhydrous AlCl3 in Me3SiCl solution BTSC was shown to be capable of forming both kinds of solvates, i.e. Cl3Al–N(SiMe3)–C≡N(SiMe3) (1) and ((Cl3Al)(Me3Si)NCN)3–Al–(N≡C–N(SiMe3)2)3 (2). Both compounds were isolated as crystalline solids, which undergo condensation reactions upon storage. By single-crystal X-ray diffraction analysis the constitution of 1 was confirmed unambiguously, and quantum chemical calculations (B3LYP/6-311++g(d,p)) confirmed that compound 1 is 6 kcal mol−1 more stable than its hypothetical N,N-bis(trimethylsilyl)cyanamide isomer Cl3Al–N≡C–N(SiMe3)2. Compound 1 represents the first crystallographically confirmed disilylcarbodiimide complex of a metal salt. The molecules of compound 2 are heavily disordered in the solid state (positional disorder of N≡C–N(SiMe3)2 vs. N≡C–N(SiMe3)(AlCl3) and positional disorder of SiMe3 vs. AlCl3 groups in the latter). Therefore, the identity of 2 was additionally confirmed by 13C, 15N, 27Al and 29Si CP/MAS NMR spectroscopy.

Solid State of Polymolybdenum(VI) Phenylsiloxanes - Synthesis and Structure

2019 ◽  
Vol 806 ◽  
pp. 57-63 ◽  
Author(s):  
Nikolai P. Shapkin ◽  
Alevtina Kapustina ◽  
Natalya Dombai ◽  
Vitalii Libanov ◽  
Irina G. Khal'chenko ◽  
...  
Keyword(s):  
Solid State ◽  
Diffraction Analysis ◽  
Mechanical Activation ◽  
Cross Section ◽  
Mechanochemical Activation ◽  
Analysis Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Soluble Polymers ◽  
Activation Conditions

Interaction of molybdenyl(VI) bis(acetylacetonate) with polyphenylsiloxane in xylene and under mechanochemical activation conditions has been investigated. The interaction of the above reagents under mechanical activation conditions proceeds with formation of soluble polymers similar to those obtained in a solution with the silicon/molybdenum ratio equal to 2.6. The crystal chemistry parameters of the fraction obtained in solution with the ratio Si/Mo = 1:2 have been calculated on the basis of the X-ray diffraction analysis data using the Debye–Shearer equation. It has been demonstrated that the chain cross-section found using the Miller–Boyer method coincides with that calculated geometrically on the basis of literature data on bond lengths and angles.

meso–meso Directly-linked trimeric and pentameric electron-deficient porphyrin–hexaphyrin hybrid arrays

2016 ◽  
Vol 20 (01n04) ◽  
pp. 245-253 ◽  
Author(s):  
Hirotaka Mori ◽  
Atsuhiro Osuka
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solid State Structures

meso–meso Directly-linked trimeric and pentameric porphyrin–hexaphyrin hybrid arrays 5 and 6 comprising of electron-deficient porphyrin units were prepared by cross-condensation of monomeric and dimeric electron-deficient meso-formyl porphyrins with a tripyrrane. The solid-state structures of 5 and 6 have been determined by single crystal X-ray diffraction analysis. The latter is the largest crystal structure of meso–meso linked multiporphyrinic array analogues reported to date.

scholarly journals Mono- and Dinuclear Aluminium Complexes Derived from Biguanide and Carbothiamide Ligands

Inorganics ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 52
Author(s):  
Maximilian Dehmel ◽  
Helmar Görls ◽  
Robert Kretschmer
Keyword(s):  
Coordination Chemistry ◽  
Solid State ◽  
Coordination Polymer ◽  
Diffraction Analysis ◽  
Crucial Role ◽  
Chelating Ligands ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Solid State Structures

Dianionic N,N-chelating ligands play a crucial role in coordination chemistry, but reports on related complexes remain limited to certain types of ligands. In here, the reactions of two diprotic ligands, i.e., a biguanide and a carbothiamide, with trimethylaluminium, are reported, which give rise to mono- and dinuclear aluminium(III) complexes. In addition, single deprotonation of the diprotic biguanide using potassium bis(trimethylsilyl)amide gives rise to a one-dimensional coordination polymer. All complexes have been fully characterized, and their solid-state structures were determined by single crystal X-ray diffraction analysis.

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