Fun Hoong-Kun, Chia Tze Shyang, Kayarmar Reshma, Nagaraja G K
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2656-7. doi: 10.1107/S1600536811036762. Epub 2011 Sep 17.
In the title compound, C(15)H(9)Cl(2)N(3)O, an intra-molecular C-H⋯O inter-action generates an S(7) ring motif. The cyclo-penta-1,3-diene ring forms dihedral angles of 1.93 (6) and 2.78 (6)° with its attached benzene rings. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds, thereby forming layers lying parallel to the ac plane. The crystal also features a π-π inter-action with a centroid-centroid distance of 3.5612 (6) Å.
在标题化合物C₁₅H₉Cl₂N₃O中,分子内C—H⋯O相互作用产生一个S(7)环 motif。环戊-1,3-二烯环与其相连的苯环形成的二面角分别为1.93 (6)°和2.78 (6)°。在晶体中,分子通过C—H⋯N和C—H⋯O氢键相连,从而形成平行于ac平面的层。该晶体还具有质心间距为3.5612 (6) Å的π-π相互作用。