Nicolas-Gomez Mariana, Martínez-Otero Diego, Dorazco-González Alejandro
Centro Conjunto de Investigacion en Quimica Sustentable UAEM-UNAM, Instituto de Quimica, Universidad Nacional Autonoma de Mexico, Carretera Toluca-Atlacomulco Km 14.5 CP 50200 Toluca, Estado de Mexico, Mexico.
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 9;70(Pt 9):o985-6. doi: 10.1107/S1600536814017917. eCollection 2014 Sep 1.
In the centrosymmetric title compound, C26H16N4O4 {systematic name: 6,13-bis-[(pyridin-4-yl)meth-yl]-6,13-di-aza-tetra-cyclo-[6.6.2.0(4,16)0(11,15)]hexa-deca-1,3,8,10,15-pantaene-5,7,12,14-tetrone}, the central ring system is essentially planar [maximum deviation = 0.0234 (8) Å] and approximately perpendicular to the terminal pyridine ring [dihedral angle = 84.38 (3)°]. The mol-ecules displays a trans conformation with the (pyridin-4-yl)methyl groups on both sides of the central naphthalene di-imide plane. In the crystal, mol-ecules are linked by π-π stacking between parallel pyridine rings [centroid-centroid distances = 3.7014 (8) and 3.8553 (8) Å] and weak C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architecture.
在中心对称的标题化合物C26H16N4O4{系统命名:6,13-双-[(吡啶-4-基)甲基]-6,13-二氮杂四环-[6.6.2.0(4,16)0(11,15)]十六碳-1,3,8,10,15-五烯-5,7,12,14-四酮}中,中心环系基本呈平面状[最大偏差 = 0.0234 (8) Å],且与末端吡啶环近似垂直[二面角 = 84.38 (3)°]。分子呈现反式构象,(吡啶-4-基)甲基基团位于中心萘二酰亚胺平面的两侧。在晶体中,分子通过平行吡啶环之间的π-π堆积[质心-质心距离 = 3.7014 (8) 和3.8553 (8) Å]以及弱C-H⋯O氢键相连,形成三维超分子结构。