Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide

In the mol­ecule of the title compound, C(9)H(11)N(5)O(2), the oxime and hydrazide groups are situated in a cis-position in relation to the C—C bond linking the two functional groups. The CH(3)C(=NOH)C(O)NH fragment deviates from planarity because of a twist between the oxime and amide groups. In th...

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Autores principales: Plutenko, Maksym O., Shishkina, Svitlana V., Shishkin, Oleg V., Potaskalov, Vadim A., Kalibabchuk, Valentina A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443806/
https://www.ncbi.nlm.nih.gov/pubmed/36072521
http://dx.doi.org/10.1107/S2056989022007927
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author Plutenko, Maksym O.
Shishkina, Svitlana V.
Shishkin, Oleg V.
Potaskalov, Vadim A.
Kalibabchuk, Valentina A.
author_facet Plutenko, Maksym O.
Shishkina, Svitlana V.
Shishkin, Oleg V.
Potaskalov, Vadim A.
Kalibabchuk, Valentina A.
author_sort Plutenko, Maksym O.
collection PubMed
description In the mol­ecule of the title compound, C(9)H(11)N(5)O(2), the oxime and hydrazide groups are situated in a cis-position in relation to the C—C bond linking the two functional groups. The CH(3)C(=NOH)C(O)NH fragment deviates from planarity because of a twist between the oxime and amide groups. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming zigzag chains in the [013] and [0 [Image: see text] 3] directions.
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spelling pubmed-94438062022-09-06 Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide Plutenko, Maksym O. Shishkina, Svitlana V. Shishkin, Oleg V. Potaskalov, Vadim A. Kalibabchuk, Valentina A. Acta Crystallogr E Crystallogr Commun Research Communications In the mol­ecule of the title compound, C(9)H(11)N(5)O(2), the oxime and hydrazide groups are situated in a cis-position in relation to the C—C bond linking the two functional groups. The CH(3)C(=NOH)C(O)NH fragment deviates from planarity because of a twist between the oxime and amide groups. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming zigzag chains in the [013] and [0 [Image: see text] 3] directions. International Union of Crystallography 2022-08-12 /pmc/articles/PMC9443806/ /pubmed/36072521 http://dx.doi.org/10.1107/S2056989022007927 Text en © Plutenko et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Plutenko, Maksym O.
Shishkina, Svitlana V.
Shishkin, Oleg V.
Potaskalov, Vadim A.
Kalibabchuk, Valentina A.
Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title_full Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title_fullStr Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title_full_unstemmed Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title_short Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-N-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
title_sort crystal structure, hirshfeld surface analysis and geometry optimization of 2-hy­droxy­imino-n-[1-(pyrazin-2-yl)ethyl­idene]propano­hydrazide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443806/
https://www.ncbi.nlm.nih.gov/pubmed/36072521
http://dx.doi.org/10.1107/S2056989022007927
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