Open AccessA tetraazamacrocycle with benzyl substituents
Author(s) -
Choi JongHa,
Clegg William,
Harrington Ross W.,
Yoon HyangMi,
Hong Yong Pyo
Publication year - 2006
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536806001425
Subject(s) - hydrogen bond , chemistry , crystal structure , tetra , group (periodic table) , crystallography , crystal (programming language) , stereochemistry , medicinal chemistry , molecule , organic chemistry , computer science , programming language
The molecule of the title compound, 2,13‐dibenzyl‐5,16‐dimethyl‐2,6,13,17‐tetraazatricyclo[16.4.0 1,18 .0 7,12 ]docosane, C 34 H 52 N 4 , is centrosymmetric. The 14‐membered macrocycle adopts the stable trans ‐III ( RRSS ) configuration, with one benzyl group above and the other below the macrocycle mean plane. The crystal structure is stabilized by N—H⋯N hydrogen bonds. There is no intermolecular π–π interaction between benzyl planes, which are almost 6Å apart.