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2-[1'-(Benz-yloxy)spiro-[indane-1,2'-pyrrolidine]-5'-yl]aceto-nitrile.

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 q 2 = 0.418?(3) and a pseudo-rotation phase angle ?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 ?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, mol-ecules are linked via C-H?N, enclosing R (2) 2(20) rings, forming chains propagating along [100]. The aceto-nitrile group is disordered over two positions and was refined with a fixed occupancy ratio of 0.56:0.44.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3793706 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-[1'-(Benz-yloxy)spiro-[indane-1,2'-pyrrolidine]-5'-yl]aceto-nitrile.

Moreno-Fuquen Rodolfo R Soto Diana M DM Jaramillo-Gómez Luz M LM Ellena Javier J Tenorio Juan C JC

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8

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 q 2 = 0.418 (3) and a pseudo-rotation phase angle ϕ2 = -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 ϕ2 = -173.7 (5), adopting an envelope conformation with the CH2 atom adjacent to the C atom common with the pyrrolidine ring as the fl ...[more]

PMID: 24109293

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