Crystal structure of the co-crystalline adduct 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]dodecane (TATD)–4-chloro-3,5-di­methyl­phenol (1/1)

Acta Crystallographica Section E: Crystallographic Communications

os-Motta, J.¹  Rojas, J.J.²  Rivera, A.⁴  Bolte, M.⁵  Rí⁶ 

[1] , Có, Facultad de Ciencias, Departamento de QuíInstitut füUniversidad Nacional de Colombia, Sede Bogotádigo Postal 111321, Colombia;mica, Cra 30 No. 45-03, Bogotár Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany

关键词: CRYSTAL STRUCTURE;    CO-CRYSTALLINE ADDUCTS;    TATD;    HYDROGEN BONDING;    C-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015010257

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the crystal of the title co-crystalline adduct, C8H16N4·C8H9ClO, (I), prepared by solid-state reaction, the mol­ecules are linked by inter­molecular O—H⋯N hydrogen bonds, forming a D motif. The aza­adamantane structure in (I) is slightly distorted, with N—CH2—CH2—N torsion angles of 10.4 (3) and −9.0 (3)°. These values differ slightly from the corresponding torsion angles in the free aminal cage (0.0°) and in related co-crystalline adducts, which are not far from a planar geometry and consistent with a D2d mol­ecular symmetry in the tetra­aza­tri­cyclo structure. The structures also differ in that there is a slight elongation of the N—C bond lengths about the N atom that accepts the hydrogen bond in (I) compared with the other N—C bond lengths. In the crystal, the two mol­ecules are not only linked by a classical O—H⋯N hydrogen bond but are further connected by weak C—H⋯π inter­actions, forming a two-dimensional supra­molecular network parallel to the bc plane.

【 授权许可】

CC BY