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4'-Amino-2,2''-dioxo-2,2'',3,3''-tetra-hydro-1H-indole-3-spiro-1'-cyclo-pent-3'-ene-2'-spiro-3''-1H-indole-3',5',5'-tricarbonitrile dihydrate


, : 4'-Amino-2,2''-dioxo-2,2'',3,3''-tetra-hydro-1H-indole-3-spiro-1'-cyclo-pent-3'-ene-2'-spiro-3''-1H-indole-3',5',5'-tricarbonitrile dihydrate. Acta Crystallographica. Section E, Structure Reports Online 64(Pt 2): O501-O502

In the title compound, C(22)H(12)N(6)O(2)·2H(2)O, the cyclo-pentene ring adopts an envelope conformation, with the spiro C atom bonded to the dicyano-substituted C atom deviating by 0.437 (2) Å from the plane of the remaining four atoms in the ring. The puckering and smallest displacement asymmetry parameters for the ring are q(2) = 0.275 (2) Å, ϕ = 212.4 (4)° and Δ(s)(C(2)) = 2.7 (2). The dihedral angle between the two indole groups is 60.1 (1)°. The structure contains inter-molecular N-H⋯O hydrogen bonds involving the indole groups and O-H⋯O and O-H⋯N hydrogen bonds involving the water mol-ecules.

US$19.90

PMID: 21201522

DOI: 10.1107/S1600536808002146


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