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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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| 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 |
| _version_ | 1782188737336180736 |
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| author | Gayathri, D. Velmurugan, D. Shanthi, G. Perumal, P. T. Ravikumar, K. |
| author_facet | Gayathri, D. Velmurugan, D. Shanthi, G. Perumal, P. T. Ravikumar, K. |
| author_sort | Gayathri, D. |
| collection | PubMed |
| description | 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. |
| format | Text |
| id | pubmed-2960428 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2008 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29604282010-12-30 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 Gayathri, D. Velmurugan, D. Shanthi, G. Perumal, P. T. Ravikumar, K. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2008-01-23 /pmc/articles/PMC2960428/ /pubmed/21201522 http://dx.doi.org/10.1107/S1600536808002146 Text en © Gayathri et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Gayathri, D. Velmurugan, D. Shanthi, G. Perumal, P. T. Ravikumar, K. 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 |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960428/ https://www.ncbi.nlm.nih.gov/pubmed/21201522 http://dx.doi.org/10.1107/S1600536808002146 |
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