Crystal Structure of 8-(6-Chloro-pyridin-3-ylmethyl)-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,6-chloropyridyl-3-yl-4] triazin-3-one

Abstract

The title compound, 8-(6-chloro-pyridin-3-ylmethyl)-2,6,7,8-tetrahydro-imidazo[2,1-c][1,2,6-chloropyridyl-3-yl-4]triazin-3-one, (C₁₁H₁₂ClN₅O), crystallizes in the monoclinic space group P2₁/n with unit-cell parameters: a = 10.1095(3), b = 10.4038(3), c = 11.9047(3)Å, β = 101.013(3)°, Z = 4. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0391 for 1840 observed reflections. The pyridine ring is held almost perpendicular to the imidazole ring [dihedral angle, 86.27(6)°]. Both the imidazole and triazine rings adopt a halfchair conformation. The crystal structure is stabilized by intermolecular N-H…O, C-H…O and C-H…π hydrogen bonds.