4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate

The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl­pyrazol-5-one and 2-hydrazino-1,3-benzothia­zole. Proton transfer leads to the formation of a zwitterionic structure and the mol­ecule exists in the enolate form. The pyrazolone ring makes dihe...

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Detalles Bibliográficos
Autores principales: Sun, Yi-Feng, Cui, Yi-Ping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961026/
https://www.ncbi.nlm.nih.gov/pubmed/21202082
http://dx.doi.org/10.1107/S1600536808006193
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author Sun, Yi-Feng
Cui, Yi-Ping
author_facet Sun, Yi-Feng
Cui, Yi-Ping
author_sort Sun, Yi-Feng
collection PubMed
description The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl­pyrazol-5-one and 2-hydrazino-1,3-benzothia­zole. Proton transfer leads to the formation of a zwitterionic structure and the mol­ecule exists in the enolate form. The pyrazolone ring makes dihedral angles of 35.4 (3), 69.7 (3) and 40.1 (3)° with the 1-phenyl, indirectly bound phenyl and benzothia­zole ring systems, respectively. The mol­ecules are linked into one-dimensional chains by a combination of N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds.
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spelling pubmed-29610262010-12-30 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate Sun, Yi-Feng Cui, Yi-Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl­pyrazol-5-one and 2-hydrazino-1,3-benzothia­zole. Proton transfer leads to the formation of a zwitterionic structure and the mol­ecule exists in the enolate form. The pyrazolone ring makes dihedral angles of 35.4 (3), 69.7 (3) and 40.1 (3)° with the 1-phenyl, indirectly bound phenyl and benzothia­zole ring systems, respectively. The mol­ecules are linked into one-dimensional chains by a combination of N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds. International Union of Crystallography 2008-03-12 /pmc/articles/PMC2961026/ /pubmed/21202082 http://dx.doi.org/10.1107/S1600536808006193 Text en © Sun and Cui 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
Sun, Yi-Feng
Cui, Yi-Ping
4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title_full 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title_fullStr 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title_full_unstemmed 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title_short 4-{[(1,3-Benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate
title_sort 4-{[(1,3-benzothia­zolium-2-yl)hydra­zono](phen­yl)meth­yl}-3-methyl-1-phenyl-1h-pyrazol-5-olate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961026/
https://www.ncbi.nlm.nih.gov/pubmed/21202082
http://dx.doi.org/10.1107/S1600536808006193
work_keys_str_mv AT sunyifeng 413benzothiazolium2ylhydrazonophenylmethyl3methyl1phenyl1hpyrazol5olatemonohydrate
AT cuiyiping 413benzothiazolium2ylhydrazonophenylmethyl3methyl1phenyl1hpyrazol5olatemonohydrate

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