El-Brollosy Nasser R, Attia Mohamed I, El-Emam Ali A, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1776-7. doi: 10.1107/S1600536812021198. Epub 2012 May 19.
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 π-π 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).
在标题化合物1,2,4 - 三嗪衍生物C(17)H(19)N(3)O(3)中，杂环呈平面状（均方根偏差 = 0.040 Å），并与相邻苯环有效共面[二面角 = 4.5 (2)°]，但几乎垂直于(环己 - 3 - 烯 - 1 - 基甲氧基)甲基残基[N - N - C - O扭转角 = 71.6 (5)°]，因此分子呈“L”形。晶体中沿着[001]方向通过N - H⋯O氢键形成超分子链，其中受体O原子为醚O原子。相邻的羰基O原子形成互补的C - H⋯O接触，导致形成七元{⋯HNCO⋯HCO}杂合成子；第二个羰基O原子形成分子内C - H⋯O接触。链通过π - π相互作用[环心 - 环心距离 = 3.488 (3) Å]在ac平面连接成超分子层。环己烯环的 - CH(2)CH(2)C(H)=残基中的中心原子在两个位置上无序，主要组分的占位因子为0.51 (2)。
