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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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