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dc.contributor.authorSoliman, M. Saied
dc.contributor.authorLasri, Jamal
dc.contributor.authorHaukka, Matti
dc.contributor.authorSholkamy, N. Essam
dc.contributor.authorAl-Rasheed, H. Hessa
dc.contributor.authorEl-Faham, Ayman
dc.date.accessioned2020-01-16T05:27:00Z
dc.date.available2020-01-16T05:27:00Z
dc.date.issued2019
dc.identifier.citationSoliman, M. S., Lasri, J., Haukka, M., Sholkamy, N. E., Al-Rasheed, H. H., & El-Faham, A. (2019). Synthesis, X-ray Crystal Structure and Antimicrobial Activity of Unexpected Trinuclear Cu(II) Complex from s-Triazine-Based Di-Compartmental Ligand via Self-Assembly. <i>Crystals</i>, <i>9</i>(12), Article 661. <a href="https://doi.org/10.3390/cryst9120661" target="_blank">https://doi.org/10.3390/cryst9120661</a>
dc.identifier.otherCONVID_34063571
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/67323
dc.description.abstractThe synthesis and X-ray crystal structure of the trinuclear [Cu3(HL)(Cl)2(NO3)(H2O)5](NO3)2 complex of the s-triazine-based di-compartmental ligand, 2-methoxy-4,6-bis(2-(pyridin-2-ylmsethylene)hydrazinyl)-1,3,5-triazine (H2L), are presented. The Cu1 and Cu2 are penta-coordinated with CuN3ClO coordination environment, distorted square pyramidal coordination geometry while Cu3 is hexa-coordinated with CuN2O4 coordination sphere, and distorted octahedral geometry. The complex crystallized in the primitive P-1 triclinic crystal system with two molecular units per unit cell. Its packing is dominated by the O–H (35.5%) and Cl–H (8.8%) hydrogen bonding interactions as well as the π–π stacking (2.3%) and anion–π-stacking interactions (3.7%). The different coordination interactions were analyzed using atoms in molecules (AIM) theory, and the number of charge transferences from the ligand group to Cu(II) were determined using natural bond orbital calculations. The effect of the free ligand and its Cu(II) complex on the tested pathogenic microbes (Staphylococcus aureus, S. epidermidis, Enterococcus faecalis, Escherichia coli, Salmonella typhi and Pseudomonas aeruginosa) and one fungal isolate (Candida albicans) is presented. Both have wide spectrum antimicrobial activity against the selected microorganism. It is observed that the free ligand at 180 µg/mL was more effective than its Cu(II) complex and showed close results compared to the positive control gentamicin. At higher concentrations (1 mg/mL), the Cu(II) complex was found to be more active against S. epidermidis, E. coli and C. albicans than the lower concentration. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values are also lower for the Cu(II) complex than the free ligand.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherMDPI
dc.relation.ispartofseriesCrystals
dc.rightsCC BY 4.0
dc.subject.others-Triazine
dc.subject.othertrinuclear
dc.subject.otherHirshfeld
dc.subject.otherantimicrobial
dc.subject.otherNBO
dc.titleSynthesis, X-ray Crystal Structure and Antimicrobial Activity of Unexpected Trinuclear Cu(II) Complex from s-Triazine-Based Di-Compartmental Ligand via Self-Assembly
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202001161272
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.type.coarhttp://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatuspeerReviewed
dc.relation.issn2073-4352
dc.relation.numberinseries12
dc.relation.volume9
dc.type.versionpublishedVersion
dc.rights.copyright© 2019 by the authors. Licensee MDPI, Basel, Switzerland.
dc.rights.accesslevelopenAccessfi
dc.subject.ysokemiallinen synteesi
dc.subject.ysoröntgenkristallografia
dc.subject.ysokompleksiyhdisteet
dc.subject.ysoantimikrobiset yhdisteet
dc.subject.ysokupari
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p8468
jyx.subject.urihttp://www.yso.fi/onto/yso/p29058
jyx.subject.urihttp://www.yso.fi/onto/yso/p30190
jyx.subject.urihttp://www.yso.fi/onto/yso/p21949
jyx.subject.urihttp://www.yso.fi/onto/yso/p19074
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.3390/cryst9120661
jyx.fundinginformationThis research received no external funding.
dc.type.okmA1


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