(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate

IUCrData Pub Date : 2024-05-01 DOI:10.1107/S2414314624004310

Yoshimi Ichimaru , Koichi Kato , Wanchun Jin , Masaaki Kurihara , Hiromasa Kurosaki , M. Bolte (Editor)

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Abstract

In the structure of the title complex, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion. Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam.

In the structure of the title complex, [Zn(C₄H₂FN₂O₂)(C₁₀H₂₄N₄)]ClO₄, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam (1,4,8,11-tetraazacyclotetradecane or [14]aneN4) as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion (FU⁻). Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam. FU⁻ engages in intermolecular hydrogen bonding with neighboring FU⁻ molecules and with the cyclam molecule.

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(5-氟-2,6-二氧代-1,2,3,6-四氢嘧啶-1-ido-κN 1)(1,4,8,11-四氮杂环十四烷-κ4 N)高氯酸锌(II)

在标题复合物[Zn(C4H2FN2O2)(C10H24N4)]ClO4的结构中，锌（II）离子与环胺（1,4,8,11-四氮杂环十四烷或 [14]aneN4）的四个氮原子以及去质子化的 5-氟尿嘧啶离子（FU-）的氮原子形成配位键。在这种结构中，Cyclam 采用反式 I 型构象。锌（II）离子的配位结构是一个正方形金字塔，环胺的四个氮原子形成了一个扭曲的基面。FU- 与邻近的 FU- 分子和环胺分子发生分子间氢键作用。

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