Ichimaru Yoshimi, Kato Koichi, Jin Wanchun, Kurihara Masaaki, Kurosaki Hiromasa
Faculty of Pharmaceutical Sciences, Shonan University of Medical Sciences, 16-48, Kamishinano, Totsuka-ku, Yokohama, Kanagawa 244-0806, Japan.
College of Pharmacy, Kinjo Gakuin University, 2-1723 Omori, Nagoya 463-8521, Japan.
IUCrdata. 2024 May 21;9(Pt 5):x240431. doi: 10.1107/S2414314624004310. eCollection 2024 May.
In the structure of the title complex, [Zn(CHFNO)(CHN)]ClO, the zinc(II) ion forms coordination bonds with the four nitro-gen atoms of cyclam (1,4,8,11-tetra-aza-cyclo-tetra-decane or [14]aneN4) as well as with the nitro-gen atom of a deprotonated 5-fluoro-uracil ion (FU). Cyclam adopts a -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 nitro-gen atoms of the cyclam. FU engages in inter-molecular hydrogen bonding with neighboring FU mol-ecules and with the cyclam mol-ecule.
在标题配合物[Zn(CHFNO)(CHN)]ClO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。环胺在该结构中呈-I型构象。锌(II)离子的配位结构是一个方锥,其底面由环胺的四个氮原子形成的平面发生扭曲。FU与相邻的FU分子以及环胺分子之间存在分子间氢键。