Mireille Ninon Mbonzi Ombenga, Fahim Mohammed, Lachkar Mohammed, Marco Contelles José Luis, Perles Josefina, El Bali Brahim
LCMSN, Département de Chimie, Faculté des Sciences, Université Moulay Ismail, BP 11201, 50000 Meknès, Morocco.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 21;69(Pt 10):o1574-5. doi: 10.1107/S1600536813025580. eCollection 2013.
The asymmetric unit of the title mol-ecular salt [systematic name: 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3-carboxy-prop-2-enoate)], C10H26N4 (2+)·2C4H3O4 (-), contains two half-cations (both completed by crystallographic inversion symmetry) and two maleate anions. The cyclam macrocycles adopt trans-III conformations, supported by two intra-molecular N-H⋯O hydrogen bonds. The O-bonded H atom of each maleate ion is disordered over two positions with an occupancy ratio of 0.61 (5):0.39 (5): each one generates an intra-molecular O-H⋯O hydrogen bond. In the crystal, the cations are linked to the anions by N-H⋯O hydrogen bonds, generating [001] chains.
标题分子盐[系统名称:1,4,8,11-四氮杂环十四烷-1,8-二铵双(3-羧基-2-烯酸酯)],C₁₀H₂₆N₄(2+)·2C₄H₃O₄(-)的不对称单元包含两个半阳离子(均通过晶体学倒转对称性完成)和两个马来酸根阴离子。环胺大环采取反式-III构象,由两个分子内N-H⋯O氢键支撑。每个马来酸根离子的O键合H原子在两个位置上无序,占有率比为0.61 (5):0.39 (5),每个位置都形成一个分子内O-H⋯O氢键。在晶体中,阳离子通过N-H⋯O氢键与阴离子相连,形成[001]链。