Title of article :
6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate
Author/Authors :
Broichhagen, Johannes Ludwig-Maximilians-Universität - Department Butenandtstrasse 5–13, 81377 München,,Germany , Klingl, Yvonne E. Ludwig-Maximilians-Universität - Department Butenandtstrasse 5–13, 81377 München,,Germany , Traunera , Dirk Ludwig-Maximilians-Universität - Department Butenandtstrasse 5–13, 81377 München,,Germany , Mayer, Peter Ludwig-Maximilians-Universität - Department Butenandtstrasse 5–13, 81377 München,,Germany
Abstract :
The packing of the title compound, C12H9N7·H2O, is dominated by hydrogen bonding and π-stacking. Layers parallel to [010] are established by hydrogen bonds involving all amine donor functions and one of the water donor functions, while the remaining water donor function enables the stacking of the layers along [10-1], which is accompanied by π-stacking. In the molecule, the plane of the central tetrazine ring forms angles of 5.33 (7) and 19.84 (8)° with the adjacent 3-amine-pyridine and pyridine rings, respectively.
Keywords :
crystal structure , asymmetric tetrazines , graph sets , hydrogen bonding
