TY - JOUR
T1 - Synthesis, X-ray structure, Hirshfeld surface analysis and antimicrobial assessment of tetranuclear s-triazine hydrazine Schiff base ligand
AU - Al-Rasheed, Hessa H.
AU - AL-khamis, Sarah A.
AU - El-Faham, Ayman
AU - Barakat, Assem
AU - Slawin, Alexandra M. Z.
AU - Woollins, John D.
AU - Soliman, Saied M.
N1 - Funding: The Deputyship for Research and Innovation, “Ministry of Education”, King Saud University (IFKSUOR3-188-3), Saudi Arabia.
PY - 2023/8/30
Y1 - 2023/8/30
N2 - The unexpected tetranuclear [Cu4(DPPT)2Cl6] complex was obtained by self-assembly of CuCl2.2H2O and (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine, (HDPPT) in ethanol. In this tetranuclear [Cu4(DPPT)2Cl6] complex, the organic ligand acts as mononegative chelate bridging two crystallographically independent Cu(II) sites. The DPPT− anion acts as a bidentate ligand with respect to Cu(1), while it is a tridentate for Cu(2). The Cu(1)N2Cl3 and Cu(2)N3Cl
spheres have square pyramidal and square planar coordination geometries
with some distortion, respectively. Two of the chloride ions
coordinating the Cu(1) are bridging between two crystallographically
related Cu(1) sites connecting two [Cu2(DPPT)Cl3] units together, leading to the tetranuclear formula [Cu4(DPPT)2Cl6]. The packing of the [Cu4(DPPT)2Cl6]
complex is dominated by C-H…Cl contacts, leading to one-dimensional
hydrogen-bond polymeric structure. According to Hirshfeld surface
analysis of molecular packing, the non-covalent interactions H…H, Cl…H,
Cl…C, C…H, and N…H are the most significant. Their percentages are 52.8,
19.0, 3.2, 7.7, and 9.7%, respectively. Antimicrobial assessment showed
good antifungal activity of the Cu(II) complex against A. fumigatus and C. albicans compared to Ketoconazole as positive control. Moreover, the [Cu4(DPPT)2Cl6] complex has higher activity against Gram-positive bacteria than Gentamycin as positive control. The opposite was observed when testing the tetranuclear [Cu4(DPPT)2Cl6] complex against the Gram-negative bacteria.
AB - The unexpected tetranuclear [Cu4(DPPT)2Cl6] complex was obtained by self-assembly of CuCl2.2H2O and (E)-2,4-di(piperidin-1-yl)-6-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)-1,3,5-triazine, (HDPPT) in ethanol. In this tetranuclear [Cu4(DPPT)2Cl6] complex, the organic ligand acts as mononegative chelate bridging two crystallographically independent Cu(II) sites. The DPPT− anion acts as a bidentate ligand with respect to Cu(1), while it is a tridentate for Cu(2). The Cu(1)N2Cl3 and Cu(2)N3Cl
spheres have square pyramidal and square planar coordination geometries
with some distortion, respectively. Two of the chloride ions
coordinating the Cu(1) are bridging between two crystallographically
related Cu(1) sites connecting two [Cu2(DPPT)Cl3] units together, leading to the tetranuclear formula [Cu4(DPPT)2Cl6]. The packing of the [Cu4(DPPT)2Cl6]
complex is dominated by C-H…Cl contacts, leading to one-dimensional
hydrogen-bond polymeric structure. According to Hirshfeld surface
analysis of molecular packing, the non-covalent interactions H…H, Cl…H,
Cl…C, C…H, and N…H are the most significant. Their percentages are 52.8,
19.0, 3.2, 7.7, and 9.7%, respectively. Antimicrobial assessment showed
good antifungal activity of the Cu(II) complex against A. fumigatus and C. albicans compared to Ketoconazole as positive control. Moreover, the [Cu4(DPPT)2Cl6] complex has higher activity against Gram-positive bacteria than Gentamycin as positive control. The opposite was observed when testing the tetranuclear [Cu4(DPPT)2Cl6] complex against the Gram-negative bacteria.
KW - Tetranuclear
KW - s-triazine
KW - Cu(II)
KW - X-ray structure
KW - Hirshfeld
KW - Antimicrobial activity
U2 - 10.3390/inorganics11090357
DO - 10.3390/inorganics11090357
M3 - Article
SN - 2304-6740
VL - 11
JO - Inorganics
JF - Inorganics
IS - 9
M1 - 357
ER -