3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate

The asymmetric unit of the title salt, C(3)H(6)N(3) (+)·C(2)F(3)O(2) (−), contains two independent 3-amino­pyrazolium cations and two independent tri­fluoro­acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.361 ...

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Autores principales: Yamuna, T. S., Jasinski, Jerry P., Scadova, Derek R., Yathirajan, H. S., Kaur, Manpreet
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/PMC3884487/
https://www.ncbi.nlm.nih.gov/pubmed/24427058
http://dx.doi.org/10.1107/S1600536813022204
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author Yamuna, T. S.
Jasinski, Jerry P.
Scadova, Derek R.
Yathirajan, H. S.
Kaur, Manpreet
author_facet Yamuna, T. S.
Jasinski, Jerry P.
Scadova, Derek R.
Yathirajan, H. S.
Kaur, Manpreet
author_sort Yamuna, T. S.
collection PubMed
description The asymmetric unit of the title salt, C(3)H(6)N(3) (+)·C(2)F(3)O(2) (−), contains two independent 3-amino­pyrazolium cations and two independent tri­fluoro­acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.361 (12). In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming chains along [100] and [010].
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spelling pubmed-38844872014-01-14 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate Yamuna, T. S. Jasinski, Jerry P. Scadova, Derek R. Yathirajan, H. S. Kaur, Manpreet Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt, C(3)H(6)N(3) (+)·C(2)F(3)O(2) (−), contains two independent 3-amino­pyrazolium cations and two independent tri­fluoro­acetate anions. The F atoms of both anions were refined as disordered over two sets of sites, with common occupancy ratios of 0.639 (12):0.361 (12). In the crystal, the cations and anions are linked via N—H⋯O hydrogen bonds, forming chains along [100] and [010]. International Union of Crystallography 2013-08-14 /pmc/articles/PMC3884487/ /pubmed/24427058 http://dx.doi.org/10.1107/S1600536813022204 Text en © Yamuna 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
Yamuna, T. S.
Jasinski, Jerry P.
Scadova, Derek R.
Yathirajan, H. S.
Kaur, Manpreet
3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title_full 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title_fullStr 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title_full_unstemmed 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title_short 3-Amino-1H-pyrazol-2-ium tri­fluoro­acetate
title_sort 3-amino-1h-pyrazol-2-ium tri­fluoro­acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884487/
https://www.ncbi.nlm.nih.gov/pubmed/24427058
http://dx.doi.org/10.1107/S1600536813022204
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AT scadovaderekr 3amino1hpyrazol2iumtrifluoroacetate
AT yathirajanhs 3amino1hpyrazol2iumtrifluoroacetate
AT kaurmanpreet 3amino1hpyrazol2iumtrifluoroacetate

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