3-Nitro-1H-1,2,4-triazole

The asymmetric unit of the title compound, C(2)H(2)N(4)O(2), contains two crystallographically independent mol­ecules in which the triazole rings are essentially planar, with maximum deviations of 0.003 (1) Å in both molecules. The dihedral angle between the two 1H-1,2,4-triazole rings is 56.58 (5)°...

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Detalles Bibliográficos
Autores principales: Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050167/
https://www.ncbi.nlm.nih.gov/pubmed/21522657
http://dx.doi.org/10.1107/S1600536810049287
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author Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Hemamalini, Madhukar
collection PubMed
description The asymmetric unit of the title compound, C(2)H(2)N(4)O(2), contains two crystallographically independent mol­ecules in which the triazole rings are essentially planar, with maximum deviations of 0.003 (1) Å in both molecules. The dihedral angle between the two 1H-1,2,4-triazole rings is 56.58 (5)°. In the crystal, mol­ecules are linked via inter­molecular N—H⋯N and C—H⋯O hydrogen bonds, forming a supra­molecular chain along the b axis.
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spelling pubmed-30501672011-04-26 3-Nitro-1H-1,2,4-triazole Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(2)H(2)N(4)O(2), contains two crystallographically independent mol­ecules in which the triazole rings are essentially planar, with maximum deviations of 0.003 (1) Å in both molecules. The dihedral angle between the two 1H-1,2,4-triazole rings is 56.58 (5)°. In the crystal, mol­ecules are linked via inter­molecular N—H⋯N and C—H⋯O hydrogen bonds, forming a supra­molecular chain along the b axis. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050167/ /pubmed/21522657 http://dx.doi.org/10.1107/S1600536810049287 Text en © Hemamalini and Fun 2011 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
Hemamalini, Madhukar
Fun, Hoong-Kun
3-Nitro-1H-1,2,4-triazole
title 3-Nitro-1H-1,2,4-triazole
title_full 3-Nitro-1H-1,2,4-triazole
title_fullStr 3-Nitro-1H-1,2,4-triazole
title_full_unstemmed 3-Nitro-1H-1,2,4-triazole
title_short 3-Nitro-1H-1,2,4-triazole
title_sort 3-nitro-1h-1,2,4-triazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050167/
https://www.ncbi.nlm.nih.gov/pubmed/21522657
http://dx.doi.org/10.1107/S1600536810049287
work_keys_str_mv AT hemamalinimadhukar 3nitro1h124triazole
AT funhoongkun 3nitro1h124triazole

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