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. 2024 Jul 12;9(Pt 7):x240665.
doi: 10.1107/S2414314624006655. eCollection 2024 Jul.

[1-(Anthracen-9-ylmeth-yl)-1,4,7,10-tetra-aza-cyclododeca-ne]chlorido-zinc(II) nitrate

Yoshimi Ichimaru  1 , Kirara Sugiura  2 , Koichi Kato  1 , Yuki Kondo  2 , Masaaki Kurihara  1 , Wanchun Jin  2 , Masanori Imai  2 , Hiromasa Kurosaki  2
Affiliations

[1-(Anthracen-9-ylmeth-yl)-1,4,7,10-tetra-aza-cyclododeca-ne]chlorido-zinc(II) nitrate

Yoshimi Ichimaru et al. IUCrdata. .

Abstract

In the title salt, [ZnCl(C23H30N4)]NO3, the central ZnII atom of the complex cation is coordinated in a square-pyramidal arrangement by four nitro-gen atoms from cyclen (1,4,7,10-tetra-aza-cyclo-dodeca-ne) in the basal plane and one chlorido ligand in the apical position. The anthracene group attached to cyclen contributes to the crystal packing through inter-molecular T-shaped π inter-actions. Additionally, the nitrate anion participates in inter-molecular N-H⋯O hydrogen bonds with cyclen.

Keywords: T-shaped π inter­actions; [12]aneN4; anthracene; crystal structure; cyclen.

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Figures

Figure 1
Figure 1
The mol­ecular structures of the complex cation and the anion in the title salt with displacement ellipsoids drawn at the 50% probability level. C-bound H atoms are omitted for clarity; the hydrogen bond is represented as a red dotted line.
Figure 2
Figure 2
The coordination polyhedron around Zn1, with displacement ellipsoids drawn at the 50% probability level. Bond angles are depicted in red, whereas bond lengths are shown in black.
Figure 3
Figure 3
A schematic drawing of the T-shaped π–π inter­actions, with displacement ellipsoids drawn at the 50% probability level. Methyl­ene H atoms of cyclen rings and nitrate ions were omitted for clarity; T-shaped π–π inter­actions are depicted as green dotted lines.
See this image and copyright information in PMC

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