Archana R, Prabakaran K, Rajendra Prasad K J, Thiruvalluvar A, Butcher R J
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1713. doi: 10.1107/S1600536810022671.
In the title mol-ecule, C(15)H(11)N(3), the dihedral angle between the benzene ring and the fused pyrrole ring is 1.07 (5)°. The cyclo-hexene ring adopts an envelope conformation: the dicyano-methyl-ene group at position 1 has a coplanar orientation. An intra-molecular N-H⋯N hydrogen bond generates an S(7) ring motif. Inter-molecular N-H⋯N hydrogen bonds form an R(2) (2)(14) ring in the crystal. A C-H⋯π inter-action involving the benzene ring is also found in the structure.
在标题分子C(15)H(11)N(3)中,苯环与稠合吡咯环之间的二面角为1.07 (5)°。环己烯环呈信封构象:1位的二氰基亚甲基基团具有共面取向。分子内N-H⋯N氢键形成一个S(7)环 motif。分子间N-H⋯N氢键在晶体中形成一个R(2) (2)(14)环。该结构中还发现了涉及苯环的C-H⋯π相互作用。