Nickel(II) and copper(II) complexes of N,N-dialkyl-N′-3-chlorobenzoylthiourea: Synthesis, characterization, crystal structures, Hirshfeld surfaces and antimicrobial activity

2018 ◽  
Vol 1161 ◽  
pp. 519-529 ◽  
Author(s):  
Gun Binzet ◽  
Ilkay Gumus ◽  
Aylin Dogen ◽  
Ulrich Flörke ◽  
Nevzat Kulcu ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Crystal Structures ◽  
Hirshfeld Surfaces

Crystal and molecular structures of boldenone and four boldenone steroid esters

2019 ◽  
Vol 234 (10) ◽  
pp. 671-683 ◽  
Author(s):  
Alexandru Turza ◽  
Maria O. Miclăuș ◽  
Aurel Pop ◽  
Gheorghe Borodi
Keyword(s):  
Crystal Structures ◽  
High Throughput ◽  
High Throughput Screening ◽  
Molecular Structures ◽  
Anabolic Androgenic Steroid ◽  
Crystal And Molecular Structures ◽  
Hirshfeld Surfaces ◽  
Intermolecular Contacts ◽  
Lattice Energies ◽  
Steroid Skeleton

Abstract Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, boldenone acetate, boldenone propionate, boldenone cypionate and a boldenone acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces and fingerprint plots breakdown revealed that the molecular packing in the crystals are driven by dominant H⋯H intermolecular contacts, followed by O⋯H/H⋯O contacts and to a lesser degree C⋯H/H⋯C contacts. The steroid skeleton rings, for all the reported compounds, adopt the following conformation: planar in A, chair in B and C, whereas C(13) envelope conformations are found for the five-membered D rings. The total lattice energies were calculated as a sum of four terms (Coulombic, polarization, dispersion, repulsion).

scholarly journals Synthesis, structural chemistry and antimicrobial activity of −(−) borneol derivative

2010 ◽  
Vol 8 (5) ◽  
pp. 1127-1133 ◽  
Author(s):  
Khalid Al-Farhan ◽  
Ismail Warad ◽  
Saud Al-Resayes ◽  
Moustafa Fouda ◽  
Mohamed Ghazzali
Keyword(s):  
Escherichia Coli ◽  
Antimicrobial Activity ◽  
Hydrogen Bonding ◽  
Reference Material ◽  
High Sensitivity ◽  
Structural Determinants ◽  
Single Crystal Diffraction ◽  
Methane Sulfonate ◽  
X Ray ◽  
Hirshfeld Surfaces

AbstractBorneol is a monoterpene that is a part of traditional Chinese and Japanese medicine. (−) borneol reacted with methanesulfonyl chloride in THF/pyridine to afford the new 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methane sulfonate derivative in excellent yield. The product is characterized by H1NMR, C13NMR, mass spectroscopy as well as elemental analysis and its structure was identified by X-ray single crystal diffraction. The packing of 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methanesulfonate exhibits the non-classical C-H···O hydrogen bonding in C(4) and R22(8) chain and ring motifs as structural determinants. This was also confirmed by the analysis of Hirshfeld surfaces. The 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methane sulfonate antimicrobial activity was tested and compared with its parent (−) borneol against three different pathogens. Particularly, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methane sulfonate showed high sensitivity, compared to Chloramphenicol reference material, against Escherichia coli.

scholarly journals Synthesis and antimicrobial activity of (Z)-3-(1H-imidazol-1-yl)-2-phenylpropenenitrile and its metal complexes: X-ray crystal structures of the Zn(II) and Ag(I) complexes

Polyhedron ◽  
2003 ◽  
Vol 22 (12) ◽  
pp. 1595-1601 ◽  
Author(s):  
Malachy McCann ◽  
Barry Coyle ◽  
John Briody ◽  
Francis Bass ◽  
Neil O'Gorman ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Metal Complexes ◽  
Crystal Structures ◽  
X Ray

Spectroscopic study, antimicrobial activity and crystal structures of N-(2-hydroxy-5-nitrobenzalidene)4-aminomorpholine and N-(2-hydroxy-1-naphthylidene)4-aminomorpholine

2005 ◽  
Vol 738 (1-3) ◽  
pp. 253-260 ◽  
Author(s):  
Mustafa Yıldız ◽  
Hüseyin Ünver ◽  
Başaran Dülger ◽  
Diğdem Erdener ◽  
Nazan Ocak ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Spectroscopic Study ◽  
Crystal Structures

Synthesis, characterization and antimicrobial activity of Ni(II) and Zn(II) complexes with N′,N′2-bis[(1E)-1-(2-pyridyl)ethylidene]propanedihydrazide. Crystal structures of two highly solvated bimetallic complexes of Ni(II)

Polyhedron ◽  
2009 ◽  
Vol 28 (12) ◽  
pp. 2397-2402 ◽  
Author(s):  
Tamara R. Todorović ◽  
Urszula Rychlewska ◽  
Beata Warżajtis ◽  
Dušanka D. Radanović ◽  
Nenad R. Filipović ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Crystal Structures ◽  
Bimetallic Complexes

Investigation of the crystal structures and Hirshfeld surfaces of three closely related N-(2-fluorobenzoyl)-arylsulfonamides

2016 ◽  
Vol 231 (6) ◽  
Author(s):  
Parameshwar Adimule Suchetan ◽  
Gundagallu Madanagopala Reddy Supriya ◽  
Kalavala Shivaprakash Srivishnu ◽  
Hanumanahalli Nagaraju Lakshmikantha ◽  
Shivalingegowda Naveen ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Compound I ◽  
One Dimensional ◽  
Π Interactions ◽  
Hirshfeld Surfaces ◽  
3D Network ◽  
2D Arrays ◽  
2D Network

AbstractThe investigation of the crystal structures of three closely related sulfonamides, namely N-(2-fluorobenzoyl)-2-methylbenzenesulfonamide (I), N-(2-fluorobenzoyl)-4-methylbenzenesulfonamide (II) and N-(2-fluorobenzoyl)-2-chlorobenzenesulfonamide (III) by analysing intermolecular interactions and the packing patterns, and also by Hirshfeld surface analyses is presented. Compound (I) has a three-dimensional (3D) network, in which N–H···O and C–H···F chains build up two-dimensional (2D) arrays, which are extended into a 3D network through C–H···π interactions. In (II), alternating N–H···O and C–H···O rings form one-dimensional (1D) ribbons, which are interconnected by C–H···π interactions to build a 2D network. In (III), 2D sheets comprising N–H···O rings, C–H···π chains, Cl···F and F···F contacts are stacked by π···π interactions to form a 3D network. Hirshfeld surface analyses, comprising d

Synthesis, crystal structures and antimicrobial activity of dimeric copper(II) complexes with 2-hydroxyphenyl-ethylidene-dithiocarbazates

2018 ◽  
Vol 483 ◽  
pp. 464-472 ◽  
Author(s):  
Francielle C. Lima ◽  
Thayná S. Silva ◽  
Carlos H.G. Martins ◽  
Claudia C. Gatto
Keyword(s):  
Antimicrobial Activity ◽  
Crystal Structures
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