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Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

ABSTRACT: Ionic co-crystals are co-crystals between organic mol-ecules and inorganic salt coformers. Co-crystals of pharmaceuticals are of inter-est to help control polymorph formation and potentially improve stability and other physical properties. We describe the preparation, crystal structures, and hydrogen bonding of five different 2:1 benzamide or tolu-amide/zinc(II) chloride co-crystal salts, namely, bis-(benzamide-κO)di-chlorido-zinc(II), [ZnCl₂(C₇H₇NO)₂], di-chlor-ido-bis-(2-methyl-benzamide-κO)zinc(II), [ZnCl₂(C₈H₉NO)₂], di-chlorido-bis-(3-methyl-benzamide-κO)zinc(II), [ZnCl₂(C₈H₉NO)₂], di-chlorido-bis-(4-methyl-benzamide-κO)zinc(II), [ZnCl₂(C₈H₉NO)₂], and di-chlorido-bis-(4-hy-droxy-benzamide-κO)zinc(II), [ZnCl₂(C₇H₇NO₂)₂]. All of the complexes contain hydrogen bonds between the amide N-H group and the amide carbonyl oxygen atoms or the chlorine atoms, forming extended networks.

SUBMITTER: Tinapple E

PROVIDER: S-EPMC8423010 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature

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Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

Tinapple Elizabeth E Farrar Sam S Johnston Dean H DH

Acta crystallographica. Section E, Crystallographic communications 20210817 Pt 9

Ionic co-crystals are co-crystals between organic mol-ecules and inorganic salt coformers. Co-crystals of pharmaceuticals are of inter-est to help control polymorph formation and potentially improve stability and other physical properties. We describe the preparation, crystal structures, and hydrogen bonding of five different 2:1 benzamide or tolu-amide/zinc(II) chloride co-crystal salts, namely, bis-(benzamide-κO)di-chlorido-zinc(II), [ZnCl2(C7H7NO)2 ...[more]

PMID: 34584754

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Project description:The multifunctional profile of Zn2+ has influenced its great popularity in various pharmaceutical, food, and cosmetic products. Despite the use of different inorganic and organic zinc derivatives, the search for new zinc-containing compounds with a safer skin profile still remains an open issue. The present paper describes the synthesis, structural characterization, and antibacterial activity of zinc(II) complexes with proteinogenic amino acids as potential candidates for dermatological treatments. The obtained complexes are of the general formula [Zn(AA)2], where AA represents an amino acid (L-Glu, Gly, L-His, L-Pro, L-Met, and L-Trp). Their synthesis was designed in such a way that the final bis(aminoacidate) zinc(II) complexes did not contain any counter-ions such as Cl-, NO3-, or SO42- that can cause some skin irritations. The chemical structure and composition of the compounds were identified by 1H NMR spectroscopy and elemental analysis, and four were also characterized by single-crystal X-ray diffraction. The Hirshfeld surface analysis for the Zn2+ metallic center helped to determine its coordination number and geometry for each complex. Finally, the antibacterial properties of the complexes were determined with respect to three Gram-positive strains, viz. Staphylococcus aureus ATCC 6538, Staphylococcus epidermidis ATCC 12228, and Streptococcus pyogenes ATCC 19615, and two Gram-negative bacteria, viz. Escherichia coli ATCC 25992 and Pseudomonas aeruginosa ATCC 27853, and were compared with the activity of zinc 2-pirrolidone 5-carboxylate (ZnPCA), commonly applied in dermatology. It was found that the Zn(II) complexes with methionine and glycine exhibited a higher antibacterial activity than the tested standard, and the antimicrobial properties of complex with Trp were satisfactory. The results of the antimicrobial activity examination allow us to postulate that the obtained zinc complexes might become new active substances for use in dermatological products.

Project description:We report the preparation and crystal structures of bis(diallydithiocarbamato)zinc(II) and silver(I) complexes. The compounds were used as single-source precursors to prepare zinc sulfide and silver sulfide nanophotocatalysts. The molecular structure of bis(diallydithiocarbamato)zinc(II) consists of a dimeric complex in which each zinc(II) ion asymmetrically coordinates with two diallydithiocarbamato anions in a bidentate chelating mode, and the centrosymmetrically related molecule is bridged through the S-atom that is chelated to the adjacent zinc(II) ion to form a distorted trigonal bipyramidal geometry around the zinc(II) ions. The molecular structure of bis(diallydithiocarbamato)silver(I) formed a cluster complex consisting of a trimetric Ag3S3 molecule in which the diallydithiocarbamato ligand is coordinated to all the Ag(I) ions. The complexes were thermolyzed in dodecylamine, hexadecylamine, and octadecylamine (ODA) to prepare zinc sulfide and silver sulfide nanoparticles. The powder X-ray diffraction patterns of the zinc sulfide nanoparticles correspond to the hexagonal wurtzite while silver sulfide is in the acanthite crystalline phase. The high-resolution transmission electron microscopy images show that quantum dot zinc sulfide nanoparticles are obtained with particle sizes ranging between 1.98 and 5.49 nm, whereas slightly bigger silver sulfide nanoparticles are obtained with particle sizes of 2.70-13.69 nm. The surface morphologies of the ZnS and AgS nanoparticles capped with the same capping agent are very similar. Optical studies revealed that the absorption band edges of the as-prepared zinc sulfide and silver sulfide nanoparticles were blue-shifted with respect to their bulk materials with some surface defects. The zinc sulfide and silver sulfide nanoparticles were used as nanophotocatalysts for the degradation of bromothymol blue (BTB) and bromophenol blue (BPB). ODA-capped zinc sulfide is the most efficient photocatalyst and degraded 87% of BTB and 91% of BPB.

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Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

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Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

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