Intermolecular interactions on the crystal packing of 1,6-bis(pyrimidin-2-ylthio)hexane: Spectroscopic and theoretical investigation

Berlini, Lilian; Souza, Márcia Cristina de; Abreu, Heitor A. De; Leitão, Alexandre A.; Maia, José Roberto da Silveira; Diniz, Renata

doi:10.1016/j.molstruc.2009.07.002

“…Complex-8 also showed an infrared stretching assigned to metal-oxygen bonds in the region of 511 cm -1 that correlates to coordinated water molecules (Arjmand, Sayeed, & Muddassir, 2011;Mohamed et al, 2016;Nakamoto, 1997). Two bands in complex-7, which have proximate energy and intensity, correlate to the bridging vibrational mode for the chlorine atoms relative to the metal (Berlini et al, 2009;Devi et al, 2014;Indoria et al, 2015;Nakamoto, 1997). In complex-8, four absorptions of low to medium intensity, in the range 268 to 341 cm -1 , are also associated to bridge and terminal vibrational modes for the metal-chlorine bonds (Devi et al, 2014;Nakamoto, 1997).…”

Section: Infrared Spectroscopymentioning

confidence: 99%

Synthesis, characterization and antimicrobial effect of Cu(ii) and Zn(ii) compounds derived from 1,2,4-triazoles

Almeida

¹

,

Maia

²

,

Falqueto

³

et al. 2022

J. Eng. Exact Sci.

1

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Compounds of Cu(II) and Zn(II) with 3-R-1H-1,2,4-triazole-5-amine {R = methyl (mta), phenyl (pta)} were prepared and characterized by infrared spectroscopy (IR), multinuclear NMR (1H, 13C), electronic spectroscopy (UV-VIS), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), microanalyses and melting point. Dimeric, monomeric, and polymeric materials were synthesized in this work. The Zn(II)-1,2,4-triazole derivatives have the metal ion at the center of two geometric arrangements, being a tetrahedron for the complex-7 and 9, and an octahedron for the complex-8. The only polymeric material, complex-7, was characterized by the DSC analytical data. The Decomposition reaction of complex-8 in chloroform produced the complex-9, a aminoguanidine derivative, and the Zn(II)-benzoate compound. The IR and UV-VIS of Cu(II)-mta derivatives revealed two possible geometric patterns for the metallic ion; a distorted bipyramidal trigonal geometry for compounds 10 and 11 in solution, and in the solid state, the same geometry for complex-10, but for complex-11, the IR data suggest a distorted octahedral geometry. The biological assay of the 1,2,4-triazole compounds and their metal derivatives against Gram-positive and Gram-negative bacteria shown the compounds of Zn(II) as the only active materials with values of MIC within the range of 133.5 µM (83.3 µg / mL) to 360.7 µM (166.6 µg / mL).

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“…The bis(pyrimidin-2-ylthio)methane (ptm), ethane (pte), hexane (pth), bis(4,6dimethylpyrimidin-2-ylthio)methane (dptm), ethane (dpte) and hexane (dpth) were prepared and characterized according to the method previously described in the literature (De Castro et al, 2002;Berlini et al, 2009). Typical infrared bands (cm -1 ) recorded in Nujol / CsI related to  (C=N + C=C) are: 1563, 1547 (ptm), 1563, 1546 (pte), 1563, 1549 (pth), 1579, 1532 (dptm), 1580, 1531 (dpte), 1578, 1529 (dpth).…”

Section: Bis(pyrimidin-2-ylthio)-and Bis(46-dimethylpyrimidin-2ylthimentioning

confidence: 99%

Antimicrobial Effect of Oligomeric Copper(ii) Derivatives of Bis(pyrimidin-2-Ylthio)- And Bis(4,6-Dimethylpyrimidin-2-Ylthio)alkanes

Silva

¹

,

Souza

²

,

Berlini

³

et al. 2016

JCEC

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A novel series of copper(II) derivatives of bis(pyrimidin-2-ylthio)-and bis(4,6-dimethylpyrimidin-2-ylthio)alkane of general formula [CuxCly(L)z]n {x = 1, y = 2, z = 1, L = ptm (1), pte (2), dptm (4), dpte (5), dpth (6); x = 2, y = 4, z = 3, L = pth (3)} were tested for antimicrobial activity. These complexes were characterized by elemental analysis, infrared spectroscopy (IR) and gel permeation chromatography (GPC). Complex-4, 5 and 6 have the metal at the center of a square planar geometry, and in complex-1, 2 and 3 the metal is at the center of a square pyramidal geometry. The structure of complex-4, determined by X-ray diffraction analysis, shows this compound as an oligomer with one-dimensional chain in zigzag conformation. The high average molecular weight (Mw) of these copper(II) complexes confirms their oligomeric character. Although the free ligands were inactive against the microorganisms tested, the copper(II) derivatives showed good antifungal and antibacterial inhibition against C. albicans, C. tropicalis, S. aureus and E. coli, more effective than Nystatin and Norfloxacin.

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“…The bis(pyrimidin-2-ylthio)methane (ptm), ethane (pte), hexane (pth), bis(4,6dimethylpyrimidin-2-ylthio)methane (dptm), ethane (dpte) and hexane (dpth) were prepared and characterized according to the method previously described in the literature (De Castro et al, 2002;Berlini et al, 2009). Typical infrared bands (cm -1 ) recorded in Nujol / CsI related to  (C=N + C=C) are: 1563, 1547 (ptm), 1563, 1546 (pte), 1563, 1549 (pth), 1579, 1532 (dptm), 1580, 1531 (dpte), 1578, 1529 (dpth).…”

Section: Bis(pyrimidin-2-ylthio)-and Bis(46-dimethylpyrimidin-2ylthio...mentioning

confidence: 99%

Antimicrobial Effect of Oligomeric Copper(ii) Derivatives of Bis(pyrimidin-2-Ylthio)- And Bis(4,6-Dimethylpyrimidin-2-Ylthio)alkanes

Silva¹,

Souza²,

BerlinI³

et al. 2016

JCEC

0

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A novel series of copper(II) derivatives of bis(pyrimidin-2-ylthio)-and bis(4,6-dimethylpyrimidin-2-ylthio)alkane of general formula [CuxCly(L)z]n {x = 1, y = 2, z = 1, L = ptm (1), pte (2), dptm (4), dpte (5), dpth (6); x = 2, y = 4, z = 3, L = pth (3)} were tested for antimicrobial activity. These complexes were characterized by elemental analysis, infrared spectroscopy (IR) and gel permeation chromatography (GPC). Complex-4, 5 and 6 have the metal at the center of a square planar geometry, and in complex-1, 2 and 3 the metal is at the center of a square pyramidal geometry. The structure of complex-4, determined by X-ray diffraction analysis, shows this compound as an oligomer with one-dimensional chain in zigzag conformation. The high average molecular weight (Mw) of these copper(II) complexes confirms their oligomeric character. Although the free ligands were inactive against the microorganisms tested, the copper(II) derivatives showed good antifungal and antibacterial inhibition against C. albicans, C. tropicalis, S. aureus and E. coli, more effective than Nystatin and Norfloxacin.

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Intermolecular interactions on the crystal packing of 1,6-bis(pyrimidin-2-ylthio)hexane: Spectroscopic and theoretical investigation

Cited by 3 publications

References 33 publications

Synthesis, characterization and antimicrobial effect of Cu(ii) and Zn(ii) compounds derived from 1,2,4-triazoles

Synthesis, characterization and antimicrobial effect of Cu(ii) and Zn(ii) compounds derived from 1,2,4-triazoles

Antimicrobial Effect of Oligomeric Copper(ii) Derivatives of Bis(pyrimidin-2-Ylthio)- And Bis(4,6-Dimethylpyrimidin-2-Ylthio)alkanes

Antimicrobial Effect of Oligomeric Copper(ii) Derivatives of Bis(pyrimidin-2-Ylthio)- And Bis(4,6-Dimethylpyrimidin-2-Ylthio)alkanes

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