Scholarlink

Abstract <p>Crystal structures of [1,2,5]selenadiazolo[3,4-<i>d</i>]pyrimidin-7(6<i>H</i>)-one (<b>1</b>), [1,2,5]selenadiazolo[3,4-<i>d</i>]pyrimidin-5,7(4<i>H</i>,6<i>H</i>)-dione (<b>2</b>) as solvates with pyridine, and individual <b>1 </b>are determined by single crystal X-ray diffraction. In all cases, <b>1</b> and <b>2</b> molecules form planar π-stacked dimers with supramolecular synthon [Se⋯N]<sub>2</sub>. The structures of compound <b>1</b> have shortened Se⋯N contacts involving the nitrogen atom of the pyrimidine ring. Oxygen atoms of C=O fragments and nitrogen atoms of pyridine solvate molecules form hydrogen bonds with N–H-fragments.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Crystal Structures of [1,2,5]Selenadiazolo[3,4-d]Pyrimidin-7(6H-One and [1,2,5]Selenadiazolo[3,4-d]Pyrimidin-5,7(4H,6H)-Dione

  • 期刊论文

  • 发表日期：

    2025年8月29日

查看全文
  • E. A. Radyush,
  • I. Yu. Bagryanskaya,
  • N. A. Semenov

摘要

Abstract

Crystal structures of [1,2,5]selenadiazolo[3,4-d]pyrimidin-7(6H)-one (1), [1,2,5]selenadiazolo[3,4-d]pyrimidin-5,7(4H,6H)-dione (2) as solvates with pyridine, and individual 1 are determined by single crystal X-ray diffraction. In all cases, 1 and 2 molecules form planar π-stacked dimers with supramolecular synthon [Se⋯N]2. The structures of compound 1 have shortened Se⋯N contacts involving the nitrogen atom of the pyrimidine ring. Oxygen atoms of C=O fragments and nitrogen atoms of pyridine solvate molecules form hydrogen bonds with N–H-fragments.