Amicarbazone

Three independent mol­ecules comprise the asymmetric unit of the title compound, C(10)H(19)N(5)O(2), (systematic name: 4-amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide) . In all three mol­ecules, the triazole ring and the carboxamide group are almost coplanar [withi...

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Autores principales: Kaur, Manpreet, Butcher, Ray J., Jasinski, Jerry P., Yathirajan, H. S., Siddaraju, B. P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629643/
https://www.ncbi.nlm.nih.gov/pubmed/23634130
http://dx.doi.org/10.1107/S1600536813007782
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author Kaur, Manpreet
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Siddaraju, B. P.
author_facet Kaur, Manpreet
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Siddaraju, B. P.
author_sort Kaur, Manpreet
collection PubMed
description Three independent mol­ecules comprise the asymmetric unit of the title compound, C(10)H(19)N(5)O(2), (systematic name: 4-amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide) . In all three mol­ecules, the triazole ring and the carboxamide group are almost coplanar [within 4.0–5.9 (9)°], particularly because of the formation of an intra­molecular N—H⋯O hydrogen bond. On other hand, the orientation of the isopropyl group varies significantly from mol­ecule to mol­ecule. The crystal packing is dominated by N—H⋯O and N—H⋯N hydrogen bonds, which connect the mol­ecules into infinite chains along [010].
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spelling pubmed-36296432013-04-30 Amicarbazone Kaur, Manpreet Butcher, Ray J. Jasinski, Jerry P. Yathirajan, H. S. Siddaraju, B. P. Acta Crystallogr Sect E Struct Rep Online Organic Papers Three independent mol­ecules comprise the asymmetric unit of the title compound, C(10)H(19)N(5)O(2), (systematic name: 4-amino-N-tert-butyl-3-isopropyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide) . In all three mol­ecules, the triazole ring and the carboxamide group are almost coplanar [within 4.0–5.9 (9)°], particularly because of the formation of an intra­molecular N—H⋯O hydrogen bond. On other hand, the orientation of the isopropyl group varies significantly from mol­ecule to mol­ecule. The crystal packing is dominated by N—H⋯O and N—H⋯N hydrogen bonds, which connect the mol­ecules into infinite chains along [010]. International Union of Crystallography 2013-03-28 /pmc/articles/PMC3629643/ /pubmed/23634130 http://dx.doi.org/10.1107/S1600536813007782 Text en © Kaur et al. 2013 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
Kaur, Manpreet
Butcher, Ray J.
Jasinski, Jerry P.
Yathirajan, H. S.
Siddaraju, B. P.
Amicarbazone
title Amicarbazone
title_full Amicarbazone
title_fullStr Amicarbazone
title_full_unstemmed Amicarbazone
title_short Amicarbazone
title_sort amicarbazone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629643/
https://www.ncbi.nlm.nih.gov/pubmed/23634130
http://dx.doi.org/10.1107/S1600536813007782
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