Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole
The crystal structure of complexes of 3,4,5-trimethyl-1H-pyrazole with CuCl2·2H2O and Cu(NO3)2·2.5H2O are presented, namely di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II)], [Cu2Cl4(C6H10N2)4] (1) and aquatetrakis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II) dinitrate, [Cu(C6H...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018002359 |
| _version_ | 1819294330839367680 |
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| author | Collin J. Vincent Ian D. Giles Jeffrey R. Deschamps |
| author_facet | Collin J. Vincent Ian D. Giles Jeffrey R. Deschamps |
| author_sort | Collin J. Vincent |
| collection | DOAJ |
| description | The crystal structure of complexes of 3,4,5-trimethyl-1H-pyrazole with CuCl2·2H2O and Cu(NO3)2·2.5H2O are presented, namely di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II)], [Cu2Cl4(C6H10N2)4] (1) and aquatetrakis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II) dinitrate, [Cu(C6H10N2)4(H2O)](NO3)2 (2), and compared to the previously determined structures for 3-methyl-1H-pyrazole and 3,5-dimethyl-1H-pyrazole. CuCl2 forms a 2:1 ligand-to-metal chloride-bridged complex with 3,4,5-trimethyl-1H-pyrazole, with a square-pyramidal coordination geometry about each copper(II) center. Similarly to the previously obtained 3,5-dimethyl-1H-pyrazole complex with CuCl2, the pyrazole ligands are cis to each other, with two chloride ions bridging the two copper(II) centers, and a terminal chloride ion occupying the axial position. Cu(NO3)2 forms a 4:1 ligand-to-metal complex with 3,4,5-trimethyl-1H-pyrazole that is also arranged in a square-pyramidal geometry about CuII. The newly obtained copper(II) complex has the same coordination geometry as the 3,5-dimethyl-1H-pyrazole complex, including an axial water molecule, two nitrate ions hydrogen-bonded to the water molecule, and four pyrazole ligands in the equatorial plane, suggesting that similar steric forces are at play in the formation of these complexes. |
| first_indexed | 2024-12-24T04:24:37Z |
| format | Article |
| id | doaj.art-e98165c2cd324cbea4bd0cfcfbd12377 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T04:24:37Z |
| publishDate | 2018-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-e98165c2cd324cbea4bd0cfcfbd123772022-12-21T17:15:40ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-03-0174335736210.1107/S2056989018002359vm2208Two CuII complexes of 3,4,5-trimethyl-1H-pyrazoleCollin J. Vincent0Ian D. Giles1Jeffrey R. Deschamps2Department of Chemistry, Washington College, 300 Washington Ave., Chestertown, MD 21620, USACBMSE, Code 6910, U. S. Naval Research Laboratory, 4555 Overlook Ave, SW, Washington, DC 20375, USACBMSE, Code 6910, U. S. Naval Research Laboratory, 4555 Overlook Ave, SW, Washington, DC 20375, USAThe crystal structure of complexes of 3,4,5-trimethyl-1H-pyrazole with CuCl2·2H2O and Cu(NO3)2·2.5H2O are presented, namely di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II)], [Cu2Cl4(C6H10N2)4] (1) and aquatetrakis(3,4,5-trimethyl-1H-pyrazole-κN2)copper(II) dinitrate, [Cu(C6H10N2)4(H2O)](NO3)2 (2), and compared to the previously determined structures for 3-methyl-1H-pyrazole and 3,5-dimethyl-1H-pyrazole. CuCl2 forms a 2:1 ligand-to-metal chloride-bridged complex with 3,4,5-trimethyl-1H-pyrazole, with a square-pyramidal coordination geometry about each copper(II) center. Similarly to the previously obtained 3,5-dimethyl-1H-pyrazole complex with CuCl2, the pyrazole ligands are cis to each other, with two chloride ions bridging the two copper(II) centers, and a terminal chloride ion occupying the axial position. Cu(NO3)2 forms a 4:1 ligand-to-metal complex with 3,4,5-trimethyl-1H-pyrazole that is also arranged in a square-pyramidal geometry about CuII. The newly obtained copper(II) complex has the same coordination geometry as the 3,5-dimethyl-1H-pyrazole complex, including an axial water molecule, two nitrate ions hydrogen-bonded to the water molecule, and four pyrazole ligands in the equatorial plane, suggesting that similar steric forces are at play in the formation of these complexes.http://scripts.iucr.org/cgi-bin/paper?S2056989018002359crystal structuretrimethylpyrazolecopper(II)complexmetal organicnitratechloride |
| spellingShingle | Collin J. Vincent Ian D. Giles Jeffrey R. Deschamps Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole Acta Crystallographica Section E: Crystallographic Communications crystal structure trimethylpyrazole copper(II) complex metal organic nitrate chloride |
| title | Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole |
| title_full | Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole |
| title_fullStr | Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole |
| title_full_unstemmed | Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole |
| title_short | Two CuII complexes of 3,4,5-trimethyl-1H-pyrazole |
| title_sort | two cuii complexes of 3 4 5 trimethyl 1h pyrazole |
| topic | crystal structure trimethylpyrazole copper(II) complex metal organic nitrate chloride |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018002359 |
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