organic compounds
The racemic title dipyrrolopyrrolizine compound crystallizes from dimethylformamide as a disolvate, C55H39Cl2N7O6·2C3H7NO. None of the four fused heterocyclic rings is planar; one adopts an envelope conformation, two others adopt half-chair conformations and the fourth adopts a conformation intermediate between an envelope and a half-chair. The arrangement of the ring fusions is such as to preclude the possibility of internal mirror symmetry. The three independent molecular components are weakly linked by C-HO hydrogen bonds, and the dipyrrolopyrrolizine molecules are linked by a combination of four C-HO and one C-H(arene) hydrogen bond to form a three-dimensional framework, from which the dimethylformamide solvent molecules are pendent. However, aromatic - stacking interactions are absent in the structure.
organic compounds
The non-H atoms in the organic component of the title compound, C8H7N3OS2·H2O, are almost coplanar, as the dihedral angle between the two ring planes is only 1.8 (2)°; there is a wide C-C-C angle of 127.8 (3)° at the methine C atom linking the two rings. The molecular components are linked into a three-dimensional framework structure by two-centre hydrogen bonds of N-HO and O-HN types, together with a three-centre O-H(N,S) system. Comparisons are made with some (Z)-5-arylmethylidene-2-sulfanylidene-1,3-thiazolidin-4-ones.