Vashchenko Oleksandr V, Khomenko Dmytro M, Dyakonenko Viktoriya V, Lampeka Rostyslav D
Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, Ukraine.
Enamine Ltd. (www.enamine.net), Winston Churchill str. 78, 02094 Kyiv, Ukraine.
Acta Crystallogr E Crystallogr Commun. 2024 Oct 15;80(Pt 11):1170-1174. doi: 10.1107/S2056989024009526. eCollection 2024 Oct 1.
The structures of the title compounds 2-hy-droxy-'-methyl-acetohydrazide, , and 2-hy-droxy--methyl-acetohydrazide, , both CHNO, as regioisomers differ in the position of the methyl group relative to the N atoms in 2-hy-droxy-acetohydrazide. In the structure of , the 2-hy-droxy-acetohydrazide core [OH-C-C(=O)-NH-NH] is almost planar and the methyl group is rotated relative to this plane. As opposed to , in the structure of all non-hydrogen atoms lie in the same plane. The hydroxyl and carbonyl groups in structures and are in and positions, respectively. The methyl amino group and carbonyl group are in the position relative to the C-N bond in structure , while the amino group and carbonyl group are in the position relative to the C-N bond in stucture In the crystal, mol-ecules of are linked by N-H⋯O and O-H⋯N inter-molecular hydrogen bonds, forming layers parallel to the crystallographic plane. A Hirshfeld surface analysis showed that the H⋯H contacts dominate the crystal packing with a contribution of 55.3%. The contribution of the H⋯O/O⋯H inter-action is somewhat smaller, amounting to 30.8%. In the crystal, as a result of the inter-molecular O-H⋯O hydrogen bonds, mol-ecules of form dimers, which are linked by N-H⋯O hydrogen bonds and a three-dimensional supra-molecular network The major contributors to the Hirshfeld surface are H⋯H (58.5%) and H⋯O/O⋯H contacts (31.7%).
标题化合物2-羟基-'-甲基乙酰肼和2-羟基--甲基乙酰肼（均为CHNO）作为区域异构体，其甲基相对于2-羟基乙酰肼中N原子的位置不同。在化合物的结构中，2-羟基乙酰肼核心[OH-C-C(=O)-NH-NH]几乎是平面的，甲基相对于该平面发生了旋转。与化合物相反，在化合物的结构中，所有非氢原子都位于同一平面内。化合物和结构中的羟基和羰基分别处于和位置。在结构中，甲基氨基和羰基相对于C-N键处于位置，而在结构中，氨基和羰基相对于C-N键处于位置。在晶体中，化合物的分子通过N-H⋯O和O-H⋯N分子间氢键相连，形成平行于晶体学平面的层。Hirshfeld表面分析表明，H⋯H接触对晶体堆积的贡献最大，为55.3%。H⋯O/O⋯H相互作用的贡献稍小，为30.8%。在晶体中，由于分子间的O-H⋯O氢键，化合物分子形成二聚体，这些二聚体通过N-H⋯O氢键连接形成三维超分子网络。Hirshfeld表面的主要贡献者是H⋯H（58.5%）和H⋯O/O⋯H接触（31.7%）。
