Crystal structure of a mononuclear copper(II) complex with 2-methoxy-N,N-bis-(quinolin-2-yl-meth-yl)-ethyl-amine (DQMEA)
Structural characterization of the compound [Cu(C2H3N)(C23H23N3O)](ClO4)2] or [Cu(C2H3N)(DQMEA)](ClO4)2] [DQMEA = 2-methoxy-N,N-bis-(quinolin-2-ylmeth-yl)ethyl-amine] {systematic name: (aceto-nitrile)[2-methoxy-N,N-bis(quinolin-2-ylmeth-yl)ethyl-amine]-copper(II) diperchlorate} by single-crystal X-ray diffraction reveals a complex cation with a tetra-dentate coordination of the DQMEA ligand along with monodentate coordination of a CH3CN ligand to a single CuII center, with two perchlorate anions providing charge balance. The CuII center has a distorted square-pyramidal geometry in which the nitro-gen atoms of the DQMEA and CH3CN ligands occupy the equatorial positions, while the oxygen atom of the DQMEA ligand resides in the axial position with an elongated Cu-O bond. The quinoline ring systems are nearly co-planar in the structure, while the linear CH3CN ligand is tilted significantly below this plane, and the central nitro-gen of DQMEA is above it. Within the complex, weak C-H⋯N hydrogen bonding takes place between the nitro-gen of CH3CN and a neighboring quinolyl group. The perchlorate ions are disordered within the structure, but undergo a number of weak inter-molecular C-H⋯O hydrogen-bonding inter-actions. Additional weak π-stacking inter-actions between the quinolyl groups of neighboring complexes further stabilize the crystal packing.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2018 |
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| Erschienen: |
2018 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:74 |
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| Enthalten in: |
Acta crystallographica. Section E, Crystallographic communications - 74(2018), Pt 8 vom: 01. Aug., Seite 1138-1141 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Frey, Steven T [VerfasserIn] |
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| Links: |
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| Themen: |
Copper(II) |
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| Anmerkungen: |
Date Revised 29.03.2024 published: Electronic-eCollection Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1107/S2056989018010319 |
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| funding: |
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| PPN (Katalog-ID): |
NLM287553329 |
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| 100 | 1 | |a Frey, Steven T |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Crystal structure of a mononuclear copper(II) complex with 2-methoxy-N,N-bis-(quinolin-2-yl-meth-yl)-ethyl-amine (DQMEA) |
| 264 | 1 | |c 2018 | |
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| 500 | |a Date Revised 29.03.2024 | ||
| 500 | |a published: Electronic-eCollection | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Structural characterization of the compound [Cu(C2H3N)(C23H23N3O)](ClO4)2] or [Cu(C2H3N)(DQMEA)](ClO4)2] [DQMEA = 2-methoxy-N,N-bis-(quinolin-2-ylmeth-yl)ethyl-amine] {systematic name: (aceto-nitrile)[2-methoxy-N,N-bis(quinolin-2-ylmeth-yl)ethyl-amine]-copper(II) diperchlorate} by single-crystal X-ray diffraction reveals a complex cation with a tetra-dentate coordination of the DQMEA ligand along with monodentate coordination of a CH3CN ligand to a single CuII center, with two perchlorate anions providing charge balance. The CuII center has a distorted square-pyramidal geometry in which the nitro-gen atoms of the DQMEA and CH3CN ligands occupy the equatorial positions, while the oxygen atom of the DQMEA ligand resides in the axial position with an elongated Cu-O bond. The quinoline ring systems are nearly co-planar in the structure, while the linear CH3CN ligand is tilted significantly below this plane, and the central nitro-gen of DQMEA is above it. Within the complex, weak C-H⋯N hydrogen bonding takes place between the nitro-gen of CH3CN and a neighboring quinolyl group. The perchlorate ions are disordered within the structure, but undergo a number of weak inter-molecular C-H⋯O hydrogen-bonding inter-actions. Additional weak π-stacking inter-actions between the quinolyl groups of neighboring complexes further stabilize the crystal packing | ||
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| 650 | 4 | |a Jahn–Teller distortion | |
| 650 | 4 | |a copper(II) | |
| 650 | 4 | |a crystal structure | |
| 650 | 4 | |a tripodal ligand | |
| 700 | 1 | |a Li, Jason |e verfasserin |4 aut | |
| 700 | 1 | |a Kaur, Manpreet |e verfasserin |4 aut | |
| 700 | 1 | |a Jasinski, Jerry P |e verfasserin |4 aut | |
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