Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



hg5325 scheme

Acta Cryst. (2013). E69, o1192-o1193    [ doi:10.1107/S1600536813017674 ]

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

R. Moreno-Fuquen, D. M. Soto, L. M. Jaramillo-Gómez, J. Ellena and J. C. Tenorio

Abstract: In the title compound, C21H22N2O, the planes of the two six-membered rings make a dihedral angle of 89.51 (7)°. The pyrrolidine ring has a puckering amplitude q2 = 0.418 (3) and a pseudo-rotation phase angle [varphi]2 = -166.8 (5), adopting a twist conformation (T). The other five-membered ring has a puckering amplitude q2 = 0.247 (2) and a pseudo-rotation phase angle [varphi]2 = -173.7 (5), adopting an envelope conformation with the CH2 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 R22(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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