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

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.

SUBMITTER: Plutenko MO

PROVIDER: S-EPMC9443806 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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

Plutenko Maksym O MO Shishkina Svitlana V SV Shishkin Oleg V OV Potaskalov Vadim A VA Kalibabchuk Valentina A VA

Acta crystallographica. Section E, Crystallographic communications 20220812 Pt 9

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. ...[more]

PMID: 36072521

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