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Darifenacin hydro-bromide.

ABSTRACT: In the title compound {systematic name: (S)-3-[(aminocar-bonyl)diphenylmethyl]-1-[2-(2,3-di-hy-dro-benzofuran-5-yl)ethyl]pyrrolidinium bromide}, C(28)H(31)N(2)O(2) (+)·Br(-), the pyrrolidine rings adopts an envelope conformation. The two phenyl rings make a dihedral angle of 72.5?(1)°. The four coplanar atoms of the pyrrolidine ring makes dihedral angles of 33.1?(2) and 82.8?(2)° with the two phenyl rings. The mol-ecular conformation is influenced by a C-H?O inter-action. In the crystal packing, there are two N-H?Br hydrogen bonds running in opposite directions. They appear to form C(10) and C(9) chain motifs in the unit cell. In addition, the mol-ecular packing is further stabilized by C-H?Br and C-H?O hydrogen bonds. The C atom bonded to the benzofuran ring system is disordered in a 0.66:0.34 ratio.

SUBMITTER: Selvanayagam S

PROVIDER: S-EPMC2969553 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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Darifenacin hydro-bromide.

Selvanayagam S S Sridhar B B Ravikumar K K

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

In the title compound {systematic name: (S)-3-[(aminocar-bonyl)diphenylmethyl]-1-[2-(2,3-di-hy-dro-benzofuran-5-yl)ethyl]pyrrolidinium bromide}, C(28)H(31)N(2)O(2) (+)·Br(-), the pyrrolidine rings adopts an envelope conformation. The two phenyl rings make a dihedral angle of 72.5 (1)°. The four coplanar atoms of the pyrrolidine ring makes dihedral angles of 33.1 (2) and 82.8 (2)° with the two phenyl rings. The mol-ecular conformation is influenced by a C-H⋯O inter-action. In the crystal packing, ...[more]

PMID: 21583148

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