2-[(Cyclo-hex-3-en-1-ylmeth-oxy)meth-yl]-6-phenyl-1,2,4-triazine-3,5(2H,4H)-dione.

ABSTRACT: In the title 1,2,4-triazine derivative, C(17)H(19)N(3)O(3), the heterocyclic ring is planar (r.m.s. deviation = 0.040?Å) and effectively coplanar with the adjacent phenyl ring [dihedral angle = 4.5?(2)°] but almost perpendicular to the (cyclo-hex-3-en-1-ylmeth-oxy)methyl residue [N-N-C-O torsion angle = 71.6?(5)°], so that the mol-ecule has an 'L' shape. Supra-molecular chains along [001] are formed in the crystal via N-H?O hydrogen bonds where the acceptor O atom is the ether O atom. The adjacent carbonyl O atom forms a complementary C-H?O contact resulting in the formation of a seven-membered {?HNCO?HCO} heterosynthon; the second carbonyl O atom forms an intra-molecular C-H?O contact. Chains are connected into a supra-molecular layer in the ac plane by ?-? inter-actions [ring centroid-centroid distance = 3.488?(3)?Å]. The central atom in the -CH(2)CH(2)C(H)= residue of the cyclo-hexene ring is disordered over two sites, with the major component having a site-occupancy factor of 0.51?(2).

SUBMITTER: El-Brollosy NR 

PROVIDER: S-EPMC3379356 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other