1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone

In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter...

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Autores principales: Malinkin, Sergey, Penkova, Larysa, Pavlenko, Vadim A., Haukka, Matti, Pavlova, Svetlana V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201455/
https://www.ncbi.nlm.nih.gov/pubmed/22058770
http://dx.doi.org/10.1107/S1600536811036518
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author Malinkin, Sergey
Penkova, Larysa
Pavlenko, Vadim A.
Haukka, Matti
Pavlova, Svetlana V.
author_facet Malinkin, Sergey
Penkova, Larysa
Pavlenko, Vadim A.
Haukka, Matti
Pavlova, Svetlana V.
author_sort Malinkin, Sergey
collection PubMed
description In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter­actions involving the pyrazole NH group of one mol­ecule and the carbonyl O atom of another. The dimers are associated into sheets via O—H⋯N hydrogen bonds involving the oxime hydroxyl and the unprotonated pyrazole N atom, generating a macrocyclic motif with six mol­ecules.
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spelling pubmed-32014552011-11-06 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone Malinkin, Sergey Penkova, Larysa Pavlenko, Vadim A. Haukka, Matti Pavlova, Svetlana V. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(11)N(3)O(2), the oxime and the acetyl groups adopt a transoid conformation, while the pyrazole H atom is localized in the proximity of the acetyl group and is cis with respect to the acetyl O atom. In the crystal, dimers are formed as the result of hydrogen-bonding inter­actions involving the pyrazole NH group of one mol­ecule and the carbonyl O atom of another. The dimers are associated into sheets via O—H⋯N hydrogen bonds involving the oxime hydroxyl and the unprotonated pyrazole N atom, generating a macrocyclic motif with six mol­ecules. International Union of Crystallography 2011-09-14 /pmc/articles/PMC3201455/ /pubmed/22058770 http://dx.doi.org/10.1107/S1600536811036518 Text en © Malinkin et al. 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
Malinkin, Sergey
Penkova, Larysa
Pavlenko, Vadim A.
Haukka, Matti
Pavlova, Svetlana V.
1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title_full 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title_fullStr 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title_full_unstemmed 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title_short 1-{3-[1-(Hydroxyimino)ethyl]-4-methyl-1H-pyrazol-5-yl}ethanone
title_sort 1-{3-[1-(hydroxyimino)ethyl]-4-methyl-1h-pyrazol-5-yl}ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201455/
https://www.ncbi.nlm.nih.gov/pubmed/22058770
http://dx.doi.org/10.1107/S1600536811036518
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AT haukkamatti 131hydroxyiminoethyl4methyl1hpyrazol5ylethanone
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