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Darifenacin hydro­bromide

In the title compound {systematic name: (S)-3-[(aminocar­bonyl)diphenylmethyl]-1-[2-(2,3-di­hy­dro­benzofuran-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 copl...

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Detalles Bibliográficos
Autores principales: Selvanayagam, S., Sridhar, B., Ravikumar, K.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969553/
https://www.ncbi.nlm.nih.gov/pubmed/21583148
http://dx.doi.org/10.1107/S1600536809017085
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author Selvanayagam, S.
Sridhar, B.
Ravikumar, K.
author_facet Selvanayagam, S.
Sridhar, B.
Ravikumar, K.
author_sort Selvanayagam, S.
collection PubMed
description In the title compound {systematic name: (S)-3-[(aminocar­bonyl)diphenylmethyl]-1-[2-(2,3-di­hy­dro­benzofuran-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 mol­ecular conformation is influenced by a C—H⋯O inter­action. 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 mol­ecular 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.
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spelling pubmed-29695532010-12-30 Darifenacin hydro­bromide Selvanayagam, S. Sridhar, B. Ravikumar, K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound {systematic name: (S)-3-[(aminocar­bonyl)diphenylmethyl]-1-[2-(2,3-di­hy­dro­benzofuran-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 mol­ecular conformation is influenced by a C—H⋯O inter­action. 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 mol­ecular 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. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969553/ /pubmed/21583148 http://dx.doi.org/10.1107/S1600536809017085 Text en © Selvanayagam et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Selvanayagam, S.
Sridhar, B.
Ravikumar, K.
Darifenacin hydro­bromide
title Darifenacin hydro­bromide
title_full Darifenacin hydro­bromide
title_fullStr Darifenacin hydro­bromide
title_full_unstemmed Darifenacin hydro­bromide
title_short Darifenacin hydro­bromide
title_sort darifenacin hydro­bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969553/
https://www.ncbi.nlm.nih.gov/pubmed/21583148
http://dx.doi.org/10.1107/S1600536809017085
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