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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.

ABSTRACT: 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, ? = 212.4?(4)° and ?(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.

SUBMITTER: Gayathri D

PROVIDER: S-EPMC2960428 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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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.

Gayathri D D Velmurugan D D Shanthi G G Perumal P T PT Ravikumar K K

Acta crystallographica. Section E, Structure reports online 20080123 Pt 2

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 hyd ...[more]

PMID: 21201522

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