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Trans-1-Phenyl-pyrrolidine-2,5-dicarbo-nitrile.

ABSTRACT: In the title compound, C(12)H(11)N(3), the plane of the phenyl ring and the least-squares plane of the pyrrolidine ring enclose an angle of 14.30 (6)°. The intra-cyclic N atom features a nearly trigonal-planar coordination geometry due to π-inter-actions with the aromatic system. The pyrrolidine ring is present in a twist conformation for which the closest pucker descriptor is (C9)T(C8). Weak inter-molecular C-H⋯N and C-H⋯π contacts occur.

SUBMITTER: Han W

PROVIDER: S-EPMC2979938 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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trans-1-Phenyl-pyrrolidine-2,5-dicarbo-nitrile.

Han Wei W Ofial Armin R AR Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20100116 Pt 2

In the title compound, C(12)H(11)N(3), the plane of the phenyl ring and the least-squares plane of the pyrrolidine ring enclose an angle of 14.30 (6)°. The intra-cyclic N atom features a nearly trigonal-planar coordination geometry due to π-inter-actions with the aromatic system. The pyrrolidine ring is present in a twist conformation for which the closest pucker descriptor is (C9)T(C8). Weak inter-molecular C-H⋯N and C-H⋯π contacts occur. ...[more]

PMID: 21579801

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