Parvez Masood, Arayne Saeed, Sultana Najma, Siddiqi Ahsan Zamir
Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4.
Acta Crystallogr C. 2004 Apr;60(Pt 4):o281-3. doi: 10.1107/S0108270104004500. Epub 2004 Mar 31.
The structure of the title compound, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)-1,8-naphthyridine-3-carboxylate trihydrate, C(15)H(17)FN(4)O(3).3H(2)O, has a zwitterion of enoxacin and three water molecules in the asymmetric unit. The zwitterions form sheets lying parallel to each other and are hydrogen bonded in a head-to-tail manner. The crystal structure is stabilized by the involvement of O and H atoms from all the water molecules in strong hydrogen bonds. The naphthyridine ring system is essentially planar, with the carboxylate group lying out of this plane at an angle of 26.13 (6) degrees and the ethyl group oriented at approximately right angles to this plane. The piperazinium ring adopts a chair conformation.
标题化合物三水合1-乙基-6-氟-1,4-二氢-4-氧代-7-(哌嗪-4-鎓-1-基)-1,8-萘啶-3-羧酸酯，C(15)H(17)FN(4)O(3)·3H(2)O，其不对称单元中有依诺沙星的两性离子和三个水分子。两性离子形成相互平行的片层，并以头对尾的方式通过氢键相连。晶体结构通过所有水分子中的O和H原子参与形成强氢键而得以稳定。萘啶环系基本呈平面状，羧酸根基团与该平面呈26.13(6)°的夹角伸出此平面，乙基与该平面大致呈直角取向。哌嗪鎓环呈椅式构象。
