Diethyl 6,13-dioxo-5,7,12,13b,13c,14-hexa-hydro-6H,13H-5a,6a,12a,13a-tetra-azabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-13b,13c-dicarboxyl-ate 1,2-dichloro-ethane solvate.

ABSTRACT: In the title inclusion compound, C(26)H(26)N(4)O(6)·C(2)H(4)Cl(2), the solvent mol-ecule occupies a cavity inside the clip-type mol-ecule which is based on the glycoluril skeleton with two ethyl acetate substituents on the convex face of the glycoluril system. The dihedral angle between the aromatic rings of the host is 43.59 (4)° and the centroid-centroid distance is 6.741 (5) Å. The 1,2-dichloro-etane mol-ecule adopts a gauche conformation enabling it to participate in C-H⋯π inter-actions with the host. The packing motif in the title compound differs from that observed in the crystal structures of the host and in the benzene solvate. The host mol-ecules are linked into tapes by π-π stacking inter-actions (centroid-centroid distance = 3.733 Å) and are further assembled into layers via C-H⋯O inter-actions. One of the ethyl groups is disorded over two positions with site-occupancy factors of 0.702 (14) and 0.298 (14).

SUBMITTER: Liu HX 

PROVIDER: S-EPMC2970980 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature