Bartholomä Mark Daniel, Ouellette Wayne, Zubieta Jon
Department of Chemistry, Syracuse University, Syracuse, New York 13244, USA.
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 20;64(Pt 12):o2395. doi: 10.1107/S1600536808037951.
In the title mol-ecule, C(17)H(15)NO(5)S, the dihedral angle between the essentially planar atoms of the tosyl moiety (the S atom and the seven tolyl C atoms) and the phthalimide moiety is 6.089 (3)°. The mol-ecule is folded about the ethyl-ene bridge, adopting a staggered conformation such that the benzene ring of the tosyl group and the five-membered ring of the phthalimide moiety have a face-to-face orientation with a centroid-to-centroid separation of 3.7454 (12) Å. The crystal structure is stabilized by weak inter-molecular π-π inter-actions between symmetry-related five-membered rings of the phthalimide groups, with a centroid-to-centroid distance of 3.3867 (11) Å. The compound is used for the attachment of a suitable chelate functionality for radiolabeling purposes.
在标题分子C(17)H(15)NO(5)S中，甲苯磺酰基部分（S原子和七个甲苯基C原子）的基本平面原子与邻苯二甲酰亚胺部分之间的二面角为6.089 (3)°。分子围绕乙烯桥折叠，采用交错构象，使得甲苯磺酰基的苯环与邻苯二甲酰亚胺部分的五元环面对面取向，质心到质心距离为3.7454 (12) Å。晶体结构通过邻苯二甲酰亚胺基团的对称相关五元环之间的弱分子间π-π相互作用得以稳定，质心到质心距离为3.3867 (11) Å。该化合物用于连接合适的螯合官能团以进行放射性标记。
