Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one

4-(2-氯乙基)-5-甲基-1,2-二氢吡唑-3-酮的晶体结构和Hirshfeld表面分析

阅读:1

Abstract

In the crystal of the title compound, C(6)H(9)ClN(2)O, mol-ecular pairs form dimers with an R (2) (2)(8) motif through N-H⋯O hydrogen bonds. These dimers are connect into ribbons parallel to the (100) plane with R (4) (4)(10) motifs by N-H⋯O hydrogen bonds along the c-axis direction. In addition, π-π [centroid-to-centroid distance = 3.4635 (9) Å] and C-Cl⋯π inter-actions between the ribbons form layers parallel to the (100) plane. The three-dimensional consolidation of the crystal structure is also ensured by Cl⋯H and Cl⋯Cl inter-actions between these layers. According to a Hirshfeld surface study, H⋯H (43.3%), Cl⋯H/H⋯Cl (22.1%) and O⋯H/H⋯O (18.7%) inter-actions are the most significant contributors to the crystal packing.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。