5-Amino-3-methyl-1,2-oxazole-4-carbonitrile

In the title compound, C(5)H(5)N(3)O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibits sp (2) character (sum of bond angles around this atom = 358°). In the crystal, mol­ecules are aggregated by two...

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Autores principales: Shoghpour, Samad, Keykha, Amir, Amiri Rudbari, Hadi, Rahimizadeh, Mohammad, Bakavoli, Mehdi, Pourayoubi, Mehrdad, Nicolò, Francesco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414977/
https://www.ncbi.nlm.nih.gov/pubmed/22904964
http://dx.doi.org/10.1107/S1600536812032667
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author Shoghpour, Samad
Keykha, Amir
Amiri Rudbari, Hadi
Rahimizadeh, Mohammad
Bakavoli, Mehdi
Pourayoubi, Mehrdad
Nicolò, Francesco
author_facet Shoghpour, Samad
Keykha, Amir
Amiri Rudbari, Hadi
Rahimizadeh, Mohammad
Bakavoli, Mehdi
Pourayoubi, Mehrdad
Nicolò, Francesco
author_sort Shoghpour, Samad
collection PubMed
description In the title compound, C(5)H(5)N(3)O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibits sp (2) character (sum of bond angles around this atom = 358°). In the crystal, mol­ecules are aggregated by two kinds of N—H⋯N hydrogen bonds into fused R (2) (2)(12) and R (6) (6)(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101).
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spelling pubmed-34149772012-08-17 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile Shoghpour, Samad Keykha, Amir Amiri Rudbari, Hadi Rahimizadeh, Mohammad Bakavoli, Mehdi Pourayoubi, Mehrdad Nicolò, Francesco Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(5)H(5)N(3)O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibits sp (2) character (sum of bond angles around this atom = 358°). In the crystal, mol­ecules are aggregated by two kinds of N—H⋯N hydrogen bonds into fused R (2) (2)(12) and R (6) (6)(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101). International Union of Crystallography 2012-07-25 /pmc/articles/PMC3414977/ /pubmed/22904964 http://dx.doi.org/10.1107/S1600536812032667 Text en © Shoghpour et al. 2012 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
Shoghpour, Samad
Keykha, Amir
Amiri Rudbari, Hadi
Rahimizadeh, Mohammad
Bakavoli, Mehdi
Pourayoubi, Mehrdad
Nicolò, Francesco
5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title_full 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title_fullStr 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title_full_unstemmed 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title_short 5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
title_sort 5-amino-3-methyl-1,2-oxazole-4-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414977/
https://www.ncbi.nlm.nih.gov/pubmed/22904964
http://dx.doi.org/10.1107/S1600536812032667
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