The crystal structure of 4′-{4-[(2,2,5,5-tetra­methyl-N-oxyl-3-pyrrolin-3-yl)ethyn­yl]phen­yl}-2,2′:6′,2′′-terpyridine

Acta Crystallographica Section E: Crystallographic Communications

Schnakenburg, G.¹  Schiemann, O.²  Wiecek, J.²  Meyer, A.² 

[1] University of Bonn, Institute of Inorganic Chemistry, Gerhard-Domagk-Strasse 1, 53121 Bonn, Germany;University of Bonn, Institute of Physical and Theoretical Chemistry, Wegelerstrasse 12, 53115 Bonn, Germany

关键词: CRYSTAL STRUCTURE;    TERPYRIDINE;    NITROXIDE;    NITROXYL;    C-H...[PI] INTERACTIONS;    [PI]-[PI] INTERACTIONS;    C-H...O HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015012086

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The terpyridine group of the title compound, C31H27N4O, assumes an all-transoid conformation and is essentially planar with the dihedral angles between the mean planes of the central pyridine and the two outer rings amounting to 3.87 (5) and 1.98 (5)°. The pyrroline-N-oxyl group commonly seen in such nitroxyls is found in the title structure and the mean plane of the pyrroline ring subtends a dihedral angle of 88.44 (7)° to the mean plane of the central pyridine ring. The intra­molecular separation between the nitrogen atom of the central pyridine unit of the terpyridine group and the nitroxyl group is 14.120 (2) Å. In the crystal, the mol­ecules are arranged in layers stacked along [001]. Slipped face-to-face π–π inter­actions between the pyridine rings are observed along this direction with the shortest centroid–centroid distances amounting to 3.700 (1) and 3.781 (1) Å. Furthermore, edge-on C—H⋯π inter­actions between the phenyl­ene rings of neighbouring mol­ecules are observed along this direction. A two-dimensional C—H⋯O hydrogen-bonded network is formed within the (010) plane. The shortest O⋯O separation between neighbouring mol­ecules is 5.412 (3) Å.

【 授权许可】

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