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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-5137608 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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