Preparation and Crystal Structure of the Silver(I)p-Toluenesulfonate−p-Aminobenzoic Acid Complex Polymer Adduct, the First Reported Example of a Silver(I) Complex Involving Two Different Organic Acid Species

1996 ◽  
Vol 35 (10) ◽  
pp. 2711-2712 ◽  
Author(s):  
Graham Smith ◽  
Daniel E. Lynch ◽  
Colin H. L. Kennard
Keyword(s):  
Crystal Structure ◽  
Organic Acid ◽  
Aminobenzoic Acid ◽  
Acid Complex ◽  
Complex Polymer

scholarly journals Crystal Structure of the Transthyretin-Retinoic-Acid Complex

1995 ◽  
Vol 234 (2) ◽  
pp. 563-569 ◽  
Author(s):  
Giuseppe Zanotti ◽  
Maria Rosa D'acunto ◽  
Giorgio Malpeli ◽  
Claudia Folli ◽  
Rodolfo Berni
Keyword(s):  
Crystal Structure ◽  
Retinoic Acid ◽  
Acid Complex

Über neue monocyclische Acyloxyfluoroborane 2.2.6.6-Tetrafluoro-1.4-dialkyl-1.3.5-trioxa-1.6-diboracyclohexene: Darstellung, Molekül- und Kristallstruktur/ New Monocyclic Acyloxyfluoroboranes 2,2,6,6-Tetrafluoro-1,4-dialkyl-1,3,5-trioxa-2,6-diboracyclohexenes: Synthesis, Molecular and Crystal Structure

1983 ◽  
Vol 38 (5) ◽  
pp. 554-558 ◽  
Author(s):  
Herbert Binder ◽  
Walter Matheis ◽  
Hans-Jörg Deiseroth ◽  
Han Fu-Son
Keyword(s):  
Crystal Structure ◽  
Organic Acid ◽  
Structure Determination ◽  
Unit Cell ◽  
Ring Conformation ◽  
X Ray ◽  
Conformational Isomers ◽  
Ring Group ◽  
Acid Anhydrides

Abstract Acyloxyfluoroboranes Trimeric alkoxydifluoroboranes (F2BOR)3 (2) react with organic acid anhydrides by substitution of a ring group OR forming monocyclic acyloxyfluoroboranes of the type 2,2,6,6-tetrafluoro-l,4-dialkyl-l,3,5-trioxa-2,6-diboracyclohexene (3). The X-ray crystal structure determination of 3a shows two conformational isomers: two planar and two non-planar six-membered rings are present in the unit cell. The ring conformation is influenced by weak intermolecular H — F interactions.

scholarly journals Nano-Azo Ligand and Its Superhydrophobic Complexes: Synthesis, Characterization, DFT, Contact Angle, Molecular Docking, and Antimicrobial Studies

2020 ◽  
Vol 2020 ◽  
pp. 1-19
Author(s):  
Gehad G. Mohamed ◽  
Walaa H. Mahmoud ◽  
Ahmed M. Refaat
Keyword(s):  
Crystal Structure ◽  
Contact Angle ◽  
Molecular Docking ◽  
Metal Ions ◽  
Metal Complexes ◽  
Biological Activities ◽  
Thermal Studies ◽  
Free Ligand ◽  
Aminobenzoic Acid ◽  
Azo Ligand

Metal complexes of the 2,2'-(1,3-phenylenebis(diazene-2,1-diyl))bis(4-aminobenzoic acid) diazo ligand (H2L) derived from m-phenylenediamine and p-aminobenzoic acid were synthesized and characterized by different spectral, thermal, and analytical tools. The H2L ligand reacted with the metal ions Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) as 1 : 1 stoichiometry. All complexes displayed an octahedral geometry according to the electronic and magnetic moment measurements. The IR spectra revealed the binding of the azo ligand to the metal ions via two azo nitrogen atoms and protonated carboxylate O in a neutral tetradentate manner. Both IR and 1H NMR spectra documented the involvement of the carboxylate group without proton displacement. The thermal studies pointed out that the complexes had higher thermal stability comparable with that of the free ligand. SEM images revealed the presence of the diazo ligand and its Cd(II) complex in a nanostructure form. The contact angle measurements proved that the Cd(II) complex can be considered as a superhydrophobic material. The molecular and electronic structure of H2L and [Cd(H2L)Cl2].H2O were optimized theoretically, and the quantum chemical parameters were calculated. The biological activities of the ligand, as well as its metal complexes, have been tested in vitro against some bacteria and fungi species. The results showed that all the tested compounds have significant biological activities with different sensitivity levels. The binding between H2L and its Cd(II) complex with receptors of the crystal structure of S. aureus (PDB ID: 3Q8U), crystal structure of protein phosphatase (PPZ1) of Candida albicans (PDB ID: 5JPE), receptors of breast cancer mutant oxidoreductase (PDB ID: 3HB5), and crystal structure of Escherichia coli (PDB ID: 3T88) was predicted and given in detail using molecular docking.

The Crystal Structure of Dimethyl (1aα,2aα,5β,6aβ-Hexahydroazirino[2,1-b]benzoxazole-1a, 5(1H)-dicarboxylate

1991 ◽  
Vol 44 (8) ◽  
pp. 1145 ◽  
Author(s):  
MF Mackay ◽  
M Campbell ◽  
MJ Mcleish
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystallographic Analysis ◽  
Aminobenzoic Acid ◽  
X Ray ◽  
Relative Stereochemistry

The title compound formed the major component in a rearrangement of an analogue of 4-amino-4-deoxychorismic acid (1), an intermediate in the chorismate-p-aminobenzoic acid biotransformation. X-Ray crystallographic analysis has defined the relative stereochemistry at the four chiral centres in the tricyclic molecule.

The crystal structure of p-aminobenzoic acid

1967 ◽  
Vol 22 (6) ◽  
pp. 885-893 ◽  
Author(s):  
T. F. Lai ◽  
R. E. Marsh
Keyword(s):  
Crystal Structure ◽  
Aminobenzoic Acid
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