2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate

The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza­pine, which is the active agent in a new class of anti­depressants. It crystallized as a zwitterion with two mol­ecules of water in the asymmetric unit. The crystal structure is dominated by a system...

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Detalles Bibliográficos
Autores principales: Li, Ai-Jun, Zhang, Xiao-Hua, Sun, Wen-Qian, Zhou, Xue-Qin, Liu, Dong-Zhi
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961778/
https://www.ncbi.nlm.nih.gov/pubmed/21202871
http://dx.doi.org/10.1107/S1600536808011288
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author Li, Ai-Jun
Zhang, Xiao-Hua
Sun, Wen-Qian
Zhou, Xue-Qin
Liu, Dong-Zhi
author_facet Li, Ai-Jun
Zhang, Xiao-Hua
Sun, Wen-Qian
Zhou, Xue-Qin
Liu, Dong-Zhi
author_sort Li, Ai-Jun
collection PubMed
description The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza­pine, which is the active agent in a new class of anti­depressants. It crystallized as a zwitterion with two mol­ecules of water in the asymmetric unit. The crystal structure is dominated by a system of hydrogen bonds involving the positively charged N atom and both water mol­ecules.
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spelling pubmed-29617782010-12-30 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate Li, Ai-Jun Zhang, Xiao-Hua Sun, Wen-Qian Zhou, Xue-Qin Liu, Dong-Zhi Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza­pine, which is the active agent in a new class of anti­depressants. It crystallized as a zwitterion with two mol­ecules of water in the asymmetric unit. The crystal structure is dominated by a system of hydrogen bonds involving the positively charged N atom and both water mol­ecules. International Union of Crystallography 2008-06-07 /pmc/articles/PMC2961778/ /pubmed/21202871 http://dx.doi.org/10.1107/S1600536808011288 Text en © Li et al. 2008 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
Li, Ai-Jun
Zhang, Xiao-Hua
Sun, Wen-Qian
Zhou, Xue-Qin
Liu, Dong-Zhi
2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title_full 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title_fullStr 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title_full_unstemmed 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title_short 2-(4-Methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
title_sort 2-(4-methyl-2-phenyl­piperazin-4-ium-1-yl)pyridine-3-carboxyl­ate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961778/
https://www.ncbi.nlm.nih.gov/pubmed/21202871
http://dx.doi.org/10.1107/S1600536808011288
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