Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy-droxy-imino- N-[1-(pyrazin-2-yl)ethyl-idene]propano-hydrazide

Maksym O Plutenko; Svitlana V Shishkina; Oleg V Shishkin; Vadim A Potaskalov; Valentina A Kalibabchuk

doi:10.1107/S2056989022007927

Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy-droxy-imino- N-[1-(pyrazin-2-yl)ethyl-idene]propano-hydrazide

Acta Crystallogr E Crystallogr Commun. 2022 Aug 12;78(Pt 9):900-904. doi: 10.1107/S2056989022007927. eCollection 2022 Sep 1.

Authors

Maksym O Plutenko¹, Svitlana V Shishkina^{2

3}, Oleg V Shishkin², Vadim A Potaskalov⁴, Valentina A Kalibabchuk⁵

Affiliations

¹ Department of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, Ukraine.
² "Institute for Single Crystals" NAS of Ukraine, 60 Nauky ave., Kharkiv, 61001, Ukraine.
³ V. N. Karazin Kharkiv National University, 4 Svobody sq., Kharkiv 61022, Ukraine.
⁴ Department of General and Inorganic Chemistry, National Technical University of Ukraine, 'Kyiv Polytechnic Institute', 37 Prospect Peremogy, 03056 Kiev, Ukraine.
⁵ Department of Analytical, Physical and Colloid Chemistry, O. O. Bohomolets National Medical University, Shevchenko Blvd. 13, 01601 Kiev, Ukraine.

Abstract

In the mol-ecule of the title compound, C₉H₁₁N₅O₂, the oxime and hydrazide groups are situated in a cis-position in relation to the C-C bond linking the two functional groups. The CH₃C(=NOH)C(O)NH fragment deviates from planarity because of a twist between the oxime and amide groups. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, forming zigzag chains in the [013] and [03] directions.

Keywords: Schiff base; crystal structure; hydrazide; hydrazone; oxime; polynucleative ligand.

Grants and funding

This work was supported by the Ministry of Education and Science of Ukraine: Grant of the Ministry of Education and Science of Ukraine for perspective development of the scientific direction ‘Mathematical sciences and natural sciences’ at Taras Shevchenko National University of Kyiv.