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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...

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Detalles Bibliográficos
Autores principales: Helliwell, Madeleine, Aghazadeh, Masomeh, Baradarani, Mehdi M., Joule, John A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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
Descripción
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.