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2-[1′-(Benz­yloxy)spiro­[indane-1,2′-pyrrolidine]-5′-yl]aceto­nitrile

In the title compound, C(21)H(22)N(2)O, the planes of the two six-membered rings make a dihedral angle of 89.51 (7)°. The pyrrolidine ring has a puckering amplitude q (2) = 0.418 (3) and a pseudo-rotation phase angle ϕ(2) = −166.8 (5), adopting a twist conformation (T). The other five-membered ring...

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Detalles Bibliográficos
Autores principales: Moreno-Fuquen, Rodolfo, Soto, Diana M., Jaramillo-Gómez, Luz M., Ellena, Javier, Tenorio, Juan C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793706/
https://www.ncbi.nlm.nih.gov/pubmed/24109293
http://dx.doi.org/10.1107/S1600536813017674
Descripción
Sumario:In the title compound, C(21)H(22)N(2)O, the planes of the two six-membered rings make a dihedral angle of 89.51 (7)°. The pyrrolidine ring has a puckering amplitude q (2) = 0.418 (3) and a pseudo-rotation phase angle ϕ(2) = −166.8 (5), adopting a twist conformation (T). The other five-membered ring has a puckering amplitude q (2) = 0.247 (2) and a pseudo-rotation phase angle ϕ(2) = −173.7 (5), adopting an envelope conformation with the CH(2) atom adjacent to the C atom common with the pyrrolidine ring as the flap. In the crystal, mol­ecules are linked via C—H⋯N, enclosing R (2) (2)(20) rings, forming chains propagating along [100]. The aceto­nitrile group is disordered over two positions and was refined with a fixed occupancy ratio of 0.56:0.44.