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3-(1-Methylpyrrolidin-2-ylidene)-3H-indole sesquihydrate
The asymmetric unit of the title compound, C(13)H(14)N(2)·1.5H(2)O, contains two similar molecules of 3-(1-methylpyrrolidin-2-ylidene)-3H-indole, (I), and three water molecules. (I) is the product of reacting indole with 1-methylpyrrolidin-2-one in the presence of phosphorus oxychloride. Both...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971882/ https://www.ncbi.nlm.nih.gov/pubmed/21578840 http://dx.doi.org/10.1107/S1600536809047606 |
Sumario: | The asymmetric unit of the title compound, C(13)H(14)N(2)·1.5H(2)O, contains two similar molecules of 3-(1-methylpyrrolidin-2-ylidene)-3H-indole, (I), and three water molecules. (I) is the product of reacting indole with 1-methylpyrrolidin-2-one in the presence of phosphorus oxychloride. Both organic molecules are almost completely planar; the maximum distances above and below the least-squares plane through all the atoms of molecule 1 are 0.050 (8) and −0.045 (8) Å, respectively, and the deviations for molecule 2 are 0.096 (8) and −0.059 (8) Å, respectively. In the crystal, the two crystallographically different molecules alternate in π-stacked columns [centroid–centroid distances = 3.729 (5) and 3.858 (5) Å], which are linked by O—H⋯N hydrogen bonds to a network of hydrogen-bonded water molecules. O—H⋯O interactions are also present. |
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