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Crystal structure of bis{5-(4-chlorophenyl)-3-[6- (1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1- ido}nickel(II) methanol disolvate.
- Source :
- Acta Crystallographica Section E: Crystallographic Communications; Nov2024, Vol. 80 Issue 11, p1235-1239, 11p
- Publication Year :
- 2024
-
Abstract
- The unit cell of the title compound, [Ni(C<subscript>16</subscript>H<subscript>10</subscript>ClN<subscript>6</subscript>)<subscript>2</subscript>]·2CH<subscript>3</subscript>OH, consists of a neutral complex and two methanol mol­ecules. In the complex, the two tridentate 2-(3-(4-chloro­phen­yl)-1H-1,2,4-triazol-5-yl)-6-(1H-pyrazol-1-yl)pyridine ligands coordinate to the central Ni<superscript>II</superscript> ion through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo­octa­hedral coordination sphere. Neighbouring tapered mol­ecules are linked through weak C—H(pz)⋯π(ph) inter­actions into monoperiodic chains, which are further linked through weak C—H⋯N/C inter­actions into diperiodic layers. The inter­molecular contacts were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 32.8%, C⋯H/H⋯C 27.5%, N⋯H/H⋯N 15.1%, and Cl⋯H/H⋯Cl 14.0%. The average Ni—N bond distance is 2.095 Å. Energy framework analysis at the HF/3–21 G theory level was performed to qu­antify the inter­action energies in the crystal structure. [ABSTRACT FROM AUTHOR]
- Subjects :
- CRYSTAL structure
CHEMICAL bond lengths
UNIT cell
SURFACE analysis
PYRIDINE
Subjects
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 80
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- 180907231
- Full Text :
- https://doi.org/10.1107/S2056989024010338