卤素键合的1:1共晶体1-溴-3,5-二硝基苯-二甲基吡啶-4-胺的晶体结构、 Hirshfeld表面及分子间相互作用能分析
Crystal structure, Hirshfeld surface and inter-molecular inter-action energy analysis of the halogen-bonded 1:1 cocrystal 1-bromo-3,5-di-nitro-benzene-,-di-methyl-pyridin-4-amine.
作者信息
Bosch Eric
机构信息
Chemistry and Biochemistry Department Missouri State University,Springfield MO 65897 USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2025 Aug 5;81(Pt 9):783-787. doi: 10.1107/S2056989025006735. eCollection 2025 Sep 1.
Abstract
The structure of the 1:1 cocrystal formed between 1-bromo-3,5-di-nitro-benzene and ,-di-methyl-pyridin-4-amine that features a C-Br⋯N halogen bond is reported. The cocrystal, CHBrNO·CHN, crystalizes in the monoclinic space group 2/ with = 4. Hirshfeld surface analysis and inter-molecular inter-action energies within the cocrystal structure are reported.
摘要
报道了1-溴-3,5-二硝基苯与4-二甲基吡啶胺形成的具有C-Br⋯N卤键的1:1共晶体结构。该共晶体CHBrNO·CHN以单斜空间群2/结晶，a = 4。报道了共晶体结构内的 Hirshfeld 表面分析和分子间相互作用能。
Zotero 插件