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Crystal structure of vilazodone hydro­chloride methanol monosolvate

In the title compound, C(26)H(28)N(5)O(2) (+)·Cl(−)·CH(3)OH {systematic name: 4-(2-carbamoyl-1-benzo­furan-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)but­yl]piperazin-1-ium chloride methanol monosolvate}, the protonated piperazine ring adopts a chair conformation. The indole ring plane is nearly perpendicula...

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Detalles Bibliográficos
Autores principales: Hu, Xiu-Rong, Ye, Jia-Li, Gu, Jian-Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137608/
https://www.ncbi.nlm.nih.gov/pubmed/27980830
http://dx.doi.org/10.1107/S2056989016017734
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author Hu, Xiu-Rong
Ye, Jia-Li
Gu, Jian-Ming
author_facet Hu, Xiu-Rong
Ye, Jia-Li
Gu, Jian-Ming
author_sort Hu, Xiu-Rong
collection PubMed
description In the title compound, C(26)H(28)N(5)O(2) (+)·Cl(−)·CH(3)OH {systematic name: 4-(2-carbamoyl-1-benzo­furan-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)but­yl]piperazin-1-ium chloride methanol monosolvate}, the protonated piperazine ring adopts a chair conformation. The indole ring plane is nearly perpendicular to the benzo­furan ring system, with a dihedral angle of 85.77 (2)°. In the crystal, the organic cations, Cl(−) anions and methanol solvent mol­ecules are linked by classical N—H⋯O and N—H⋯Cl hydrogen bonds, and weak C—H⋯O and C—H⋯π inter­actions into a three-dimensional supra­molecular architecture.
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spelling pubmed-51376082016-12-15 Crystal structure of vilazodone hydro­chloride methanol monosolvate Hu, Xiu-Rong Ye, Jia-Li Gu, Jian-Ming Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(26)H(28)N(5)O(2) (+)·Cl(−)·CH(3)OH {systematic name: 4-(2-carbamoyl-1-benzo­furan-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)but­yl]piperazin-1-ium chloride methanol monosolvate}, the protonated piperazine ring adopts a chair conformation. The indole ring plane is nearly perpendicular to the benzo­furan ring system, with a dihedral angle of 85.77 (2)°. In the crystal, the organic cations, Cl(−) anions and methanol solvent mol­ecules are linked by classical N—H⋯O and N—H⋯Cl hydrogen bonds, and weak C—H⋯O and C—H⋯π inter­actions into a three-dimensional supra­molecular architecture. International Union of Crystallography 2016-11-10 /pmc/articles/PMC5137608/ /pubmed/27980830 http://dx.doi.org/10.1107/S2056989016017734 Text en © Hu et al. 2016 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 Research Communications
Hu, Xiu-Rong
Ye, Jia-Li
Gu, Jian-Ming
Crystal structure of vilazodone hydro­chloride methanol monosolvate
title Crystal structure of vilazodone hydro­chloride methanol monosolvate
title_full Crystal structure of vilazodone hydro­chloride methanol monosolvate
title_fullStr Crystal structure of vilazodone hydro­chloride methanol monosolvate
title_full_unstemmed Crystal structure of vilazodone hydro­chloride methanol monosolvate
title_short Crystal structure of vilazodone hydro­chloride methanol monosolvate
title_sort crystal structure of vilazodone hydro­chloride methanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137608/
https://www.ncbi.nlm.nih.gov/pubmed/27980830
http://dx.doi.org/10.1107/S2056989016017734
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