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

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2013)

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ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

卷 69, 期 -, 页码 O1192-+

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INT UNION CRYSTALLOGRAPHY

DOI: 10.1107/S1600536813017674

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Crystallography

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Universidad del Valle, Colombia

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In the title compound, C21H22N2O, the planes of the two sixmembered rings make a dihedral angle of 89.51 (7)degrees. The pyrrolidine ring has a puckering amplitude q(2) = 0.418 (3) and a pseudo-rotation phase angle (SIC)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 (SIC)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 center dot center dot center dot 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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