2-羟基-亚氨基-[1-(吡嗪-2-基)亚乙基]丙酰肼的晶体结构、 Hirshfeld表面分析及几何优化
Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hy-droxy-imino--[1-(pyrazin-2-yl)ethyl-idene]propano-hydrazide.
作者信息
Plutenko Maksym O, Shishkina Svitlana V, Shishkin Oleg V, Potaskalov Vadim A, Kalibabchuk Valentina A
机构信息
Department of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, Ukraine.
"Institute for Single Crystals" NAS of Ukraine, 60 Nauky ave., Kharkiv, 61001, Ukraine.
出版信息
Acta Crystallogr E Crystallogr Commun. 2022 Aug 12;78(Pt 9):900-904. doi: 10.1107/S2056989022007927. eCollection 2022 Sep 1.
In the mol-ecule of the title compound, CHNO, the oxime and hydrazide groups are situated in a -position in relation to the C-C bond linking the two functional groups. The CHC(=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.
在标题化合物CHNO的分子中，肟基和酰肼基相对于连接两个官能团的C-C键处于α-位。由于肟基和酰胺基之间的扭转，CHC(=NOH)C(O)NH片段偏离平面。在晶体中，分子通过O-H⋯O氢键相连，在[013]和[03]方向上形成锯齿链。
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