Abstract
In the asymmetric unit of the title polymeric complex, {[CuI(C11H9N3)]·0.5CH3CN}n, there are two CuI atoms, two N-[(pyridin-2-yl-κN)methylidene]pyridin-3-amine (PyPy) ligands and two I atoms. Both CuI atoms have a distorted tetrahedral geometry, each being coordinated by one I atom, two N atoms of one PyPy ligand and one N atom from an adjacent PyPy ligand. In the crystal, infinite helical chains of [Cu2(PyPy)2]n are formed propagating along the b axis. These chains are linked via weak C—H⋯I hydrogen bonds and π–π stacking interactions [shortest centroid–centroid distance = 3.2727 (14) Å]. During the refinement, electron-density peaks were located that were believed to be highly disordered solvent molecules (possibly acetonitrile). The SQUEEZE option in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155] indicated there were solvent cavities with a total volume of 196 Å3 containing approximately 60 electrons per unit cell, which equated to one molecule of acetonitrile per asymmetric unit.
Highlights
N-[(pyridin-2-yl-N)methylidene]pyridin-3-amine (PyPy) ligands and two I atoms. Both CuI atoms have a distorted tetrahedral geometry, each being coordinated by one I atom, two N atoms of one PyPy ligand and one N atom from an adjacent PyPy ligand
196 Å3 containing approximately 60 electrons per unit cell, which equated to one molecule of acetonitrile per asymmetric unit
We report on the synthetic and crystal structure of a novel copper iodide complex based on the ligand pyridin-3-ylpyridin-2-ylmethyleneamine (PyPy)
Summary
Babakhodaverdia a Department of Chemistry, Islamic Azad University, Karaj Branch, Karaj, Iran, and Department of Chemistry, Alzahra University, Tehran, Iran. Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.015 Å; some non-H atoms missing; R factor = 0.060; wR factor = 0.178; data-to-parameter ratio =
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