Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one

The title compound, C(9)H(10)N(4)O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methyl­sulfanyl-1,2,4-triazolium tetra­fluoro­borate in the presence of sodium azide. In the crystal, alternating layers of polar amino­triazolinone and apolar benzene moieties are observed. N—H⋯O hy...

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Detalles Bibliográficos
Autores principales: Laus, Gerhard, Kahlenberg, Volker, Schottenberger, Herwig
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257189/
https://www.ncbi.nlm.nih.gov/pubmed/25484684
http://dx.doi.org/10.1107/S160053681401931X
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author Laus, Gerhard
Kahlenberg, Volker
Schottenberger, Herwig
author_facet Laus, Gerhard
Kahlenberg, Volker
Schottenberger, Herwig
author_sort Laus, Gerhard
collection PubMed
description The title compound, C(9)H(10)N(4)O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methyl­sulfanyl-1,2,4-triazolium tetra­fluoro­borate in the presence of sodium azide. In the crystal, alternating layers of polar amino­triazolinone and apolar benzene moieties are observed. N—H⋯O hydrogen bonds between the amino and carbonyl groups form infinite chains along [010]. These infinite chains are linked by additional C—H⋯O contacts.
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spelling pubmed-42571892014-12-05 Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one Laus, Gerhard Kahlenberg, Volker Schottenberger, Herwig Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(9)H(10)N(4)O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methyl­sulfanyl-1,2,4-triazolium tetra­fluoro­borate in the presence of sodium azide. In the crystal, alternating layers of polar amino­triazolinone and apolar benzene moieties are observed. N—H⋯O hydrogen bonds between the amino and carbonyl groups form infinite chains along [010]. These infinite chains are linked by additional C—H⋯O contacts. International Union of Crystallography 2014-09-03 /pmc/articles/PMC4257189/ /pubmed/25484684 http://dx.doi.org/10.1107/S160053681401931X Text en © Laus et al. 2014 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 Data Reports
Laus, Gerhard
Kahlenberg, Volker
Schottenberger, Herwig
Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title_full Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title_fullStr Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title_full_unstemmed Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title_short Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
title_sort crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257189/
https://www.ncbi.nlm.nih.gov/pubmed/25484684
http://dx.doi.org/10.1107/S160053681401931X
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