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Crystal structure and Hirshfeld surface analysis of 2,2'-{(1E,1'E)-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[4-(tri-fluoro-meth-oxy)phenol]copper(II) hydro-quinone hemisolvate.

ABSTRACT: In the title com-plex, [Cu(C18H12F6N2O4)]·0.5C6H6O2, the CuII ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetra-dentate open-chain Schiff base ligand 6,6'-{(1E,1'E)-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[2-(tri-fluoro-meth-oxy)phenol]. The crystal packing is stabilized by intra-molecular O-H?O and inter-molecular C-H?F, C-H?O and C-H?? hydrogen bonds. In addition, weak ?-? inter-actions form a three-dimensional structure. Hirshfeld surface analysis and two-dimensional fingerprint plots were performed and created to analyze the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from F?H/H?F (25.7%), H?H (23.5%) and C?H/H?C (12.6%) inter-actions.

SUBMITTER: Kansiz S 

PROVIDER: S-EPMC6829737 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[4-(tri-fluoro-meth-oxy)phenol]copper(II) hydro-quinone hemisolvate.

Kansiz Sevgi S   Meral Seher S   Dege Necmi N   Agar Aysen Alaman AA   Fritsky Igor O IO  

Acta crystallographica. Section E, Crystallographic communications 20191029 Pt 11

In the title com-plex, [Cu(C<sub>18</sub>H<sub>12</sub>F<sub>6</sub>N<sub>2</sub>O<sub>4</sub>)]·0.5C<sub>6</sub>H<sub>6</sub>O<sub>2</sub>, the Cu<sup>II</sup> ion has a square-planar coordination geometry, being ligated by two N and two O atoms of the tetra-dentate open-chain Schiff base ligand 6,6'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-[2-(tri-fluoro-meth-oxy)phenol]. The crystal packing is stabilized by intra-molecular O-H⋯O and inter-molecul  ...[more]

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