A New Azide-Bridged Polymeric Manganese (III) Schiff Base Complex with an Allylamine-Derived Ligand: Structural Characterization and Activity Spectra
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis and Spectroscopic Characterization of the SCHIFF Base and Complex
2.2. Electrochemical Studies
2.3. Crystal Structure
2.4. Hirshfeld Surface Analysis
2.5. Conformational Analysis of the Schiff Base Ligand
2.6. In Silico PASS Analysis of Biological Activity
3. Experimental and Computational Methodologies
3.1. Materials and Instrumentation
3.2. Synthesis of the Polymeric Schiff Base Complex [MnIII(L)2(N3)]n
3.3. X-ray Data Collection and Refinement Parameters
3.4. Cyclic Voltammetry
3.5. Hirshfeld Surface Analysis
3.6. Theoretical Calculations
3.7. Prediction of Probable Activity Spectra of Substances (PASS Online Software)
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Mn1 | Mn2 | ||
---|---|---|---|
Bond length/Å | |||
Mn1–N8A | 2.035 | Mn2–N8B | 2.044 |
Mn1–O1A | 1.885 | Mn2–O1B | 1.866 |
Mn1–N1 | 2.272 | Mn2–N3 | 2.256 |
Bond angle/deg. | |||
O1A–Mn1–N8A | 89.2–90.8 | O1B-Mn2–N8B | 89.6–90.4 |
O1A–Mn1–N1 | 89.7–90.3 | O1B–Mn2–N3 | 88.6–91.3 |
N8A–Mn1–N1 | 87.5–92.6 | N8B–Mn2–N3 | 88.1–91.9 |
O1A–Mn1–O1A | 180.0 | O1B–Mn2–O1B | 180.0 |
N8A–Mn1–N8A | 180.0 | N8B–Mn2–N8B | 180.0 |
N1–Mn1–N1 | 180.0 | N3–Mn2–N3 | 180.0 |
Interaction | Label | H⋯A/Å | C⋯A/Å | C–H⋯A/° |
---|---|---|---|---|
Interchain | ||||
C22B–H⋯N1/N2 | a/a’ | 2.742/2.562 | 3.631/3.345 | 150.9/136.8 |
C21B–H⋯N3 | b | 2.634 | 3.167 | 114.0 |
C22A–H⋯C22B | c | 2.697 | 3.607 | 154.6 |
C21B–H⋯C2A | d | 2.789 | 3.574 | 136.6 |
Intrachain | ||||
C9B–H⋯O1A | e | 2.549 | 3.499 | 160.9 |
C9A–H⋯N2/N3 | f/g | 2.603/2.668 | 3.347/3.573 | 131.9/152.1 |
C11A–H⋯O1B | h | 2.699 | 3.359 | 127.1 |
C11A⋯C2B | i | 3.219 | ||
C11A⋯C1B | j | 3.320 |
Activity | Pa | Pi |
---|---|---|
Antiviral (Rhinovirus) | 0.444 | 0.053 |
Antiviral (Influenza) | 0.350 | 0.064 |
Antiviral (Picornavirus) | 0.352 | 0.156 |
Antiviral | 0.211 | 0.086 |
Antitussive | 0.199 | 0.087 |
Antiviral (CMV) | 0.224 | 0.122 |
Antiviral (Influenza A) | 0.227 | 0.145 |
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Talebi, A.; Salehi, M.; Jesus, A.J.L.; Kubicki, M.; Fausto, R.; Golbedaghi, R. A New Azide-Bridged Polymeric Manganese (III) Schiff Base Complex with an Allylamine-Derived Ligand: Structural Characterization and Activity Spectra. Inorganics 2024, 12, 234. https://doi.org/10.3390/inorganics12090234
Talebi A, Salehi M, Jesus AJL, Kubicki M, Fausto R, Golbedaghi R. A New Azide-Bridged Polymeric Manganese (III) Schiff Base Complex with an Allylamine-Derived Ligand: Structural Characterization and Activity Spectra. Inorganics. 2024; 12(9):234. https://doi.org/10.3390/inorganics12090234
Chicago/Turabian StyleTalebi, Aynaz, Mehdi Salehi, A. J. Lopes Jesus, Maciej Kubicki, Rui Fausto, and Reza Golbedaghi. 2024. "A New Azide-Bridged Polymeric Manganese (III) Schiff Base Complex with an Allylamine-Derived Ligand: Structural Characterization and Activity Spectra" Inorganics 12, no. 9: 234. https://doi.org/10.3390/inorganics12090234