Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T
Department of Chemistry, The University of Texas at San Antonio, One UTSA Circle, San Antonio, Texas 78249-0698, USA.
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 17;69(Pt 9):o1445-6. doi: 10.1107/S1600536813022691. eCollection 2013.
The asymmetric unit of the title co-crystal, 2C14H13N2 (+)·C10H4O8 (2-)·2C14H12N2·C10H6O8, comprises a 2,9-dimethyl-1,10-phenanthrolin-1-ium cation (Me2PhenH(+)) and a 2,9-dimethyl-1,10-phenanthroline mol-ecule (Me2Phen), each in a general position, and half each of a 2,5-di-carb-oxy-benzene-1,4-di-carboxyl-ate dianion (LH2 (2-)) and a benzene-1,2,4,5-tetra-carb-oxy-lic acid mol-ecule (LH4), each being disposed about a centre of inversion. Small twists are evident in the dianion [the C-C-C-O torsion angles are 168.41 (18) and 16.2 (3)°], whereas a major twist is found for one carb-oxy-lic acid group in the neutral mol-ecule [C-C-C-O = 66.3 (2) and 18.2 (3)°]. The most prominent feature of the crystal packing is the formation of linear supra-molecular chains along [001] mediated by charge-assisted O-H⋯O(-) hydrogen bonding between alternating LH4 and LH2 (2-). These are connected to the Me2PhenH(+) and Me2Phen species by N-H⋯O and O-H⋯N hydrogen bonds, respectively. A three-dimensional architecture is formed by C-H⋯O and π-π inter-actions [inter-centroid distance = 3.5337 (17) Å].
标题共晶体2C₁₄H₁₃N₂⁺·C₁₀H₄O₈²⁻·2C₁₄H₁₂N₂·C₁₀H₆O₈的不对称单元包含一个处于一般位置的2,9 - 二甲基 - 1,10 - 菲啰啉 - 1 - 鎓阳离子（Me₂PhenH⁺）和一个2,9 - 二甲基 - 1,10 - 菲啰啉分子（Me₂Phen），以及一个2,5 - 二羧基苯 - 1,4 - 二羧酸二价阴离子（LH₂²⁻）和一个苯 - 1,2,4,5 - 四羧酸分子（LH₄）各一半，它们均围绕一个对称中心排列。在二价阴离子中存在明显的小扭转[C - C - C - O扭转角为168.41 (18)°和16.2 (3)°]，而在中性分子中一个羧酸基团存在较大扭转[C - C - C - O = 66.3 (2)°和18.2 (3)°]。晶体堆积最显著的特征是沿着[001]方向形成线性超分子链，这是由交替的LH₄和LH₂²⁻之间的电荷辅助O - H⋯O⁻氢键介导的。这些链分别通过N - H⋯O和O - H⋯N氢键与Me₂PhenH⁺和Me₂Phen物种相连。通过C - H⋯O和π - π相互作用[质心间距离 = 3.5337 (17) Å]形成了三维结构。
