共晶加合物1,3,6,8-四氮杂三环-[4.4.1.1]十二烷（TATD）-4-碘苯酚（1/2）的晶体结构：由卤素和氢键介导的超分子组装
Crystal structure of the co-crystalline adduct 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1]dodecane (TATD)-4-iodo-phenol (1/2): supra-molecular assembly mediated by halogen and hydrogen bonding.
作者信息
Rivera Augusto, Rojas Jicli José, Ríos-Motta Jaime, Bolte Michael
机构信息
Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código, Postal 111321, Colombia.
Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 Oct 20;73(Pt 11):1692-1695. doi: 10.1107/S2056989017014943. eCollection 2017 Nov 1.
The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetra-aza-tri-cyclo[4.4.1.1]dodecane (TATD)-4-iodo-phenol (1/2), CHN·2CHIO, comprises a half mol-ecule of the aminal cage polyamine plus a 4-iodo-phenol mol-ecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two inter-molecular O-H⋯N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N⋯I halogen bonds and weak non-conventional C-H⋯O and C-H⋯I hydrogen bonds.
标题共晶加合物1,3,6,8-四氮杂三环[4.4.1.1]十二烷（TATD）-4-碘苯酚（1/2），即CHN·2CHIO的不对称单元，由半分子氨基笼状多胺加一个4-碘苯酚分子组成。一个二重旋转轴生成加合物的另一半。各组分通过两个分子间O-H⋯N氢键相连。加合物通过N⋯I卤键与弱的非常规C-H⋯O和C-H⋯I氢键的组合进一步连接成三维骨架结构。
Zotero 插件