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4′-Amino-2,2′′-dioxo-2,2′′,3,3′′-tetrahydro-1H-indole-3-spiro-1′-cyclopent-3′-ene-2′-spiro-3′′-1H-indole-3′,5′,5′-tricarbonitrile dihydrate
In the title compound, C(22)H(12)N(6)O(2)·2H(2)O, the cyclopentene 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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960428/ https://www.ncbi.nlm.nih.gov/pubmed/21201522 http://dx.doi.org/10.1107/S1600536808002146 |
Sumario: | In the title compound, C(22)H(12)N(6)O(2)·2H(2)O, the cyclopentene 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 intermolecular N—H⋯O hydrogen bonds involving the indole groups and O—H⋯O and O—H⋯N hydrogen bonds involving the water molecules. |
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