2-oxo-2H-chromen-7-yl tri-fluoro-methane-sulfonate的晶体结构是这样的 - - 它的结构是这样的
Navneet Goyal1, Rafia Rashid1, Xiaodong Zhang2
1Department of Chemistry Xavier University of Louisiana 1 Drexel Drive New Orleans LA 70125 USA.
Acta crystallographica. Section E, Crystallographic communications
|February 9, 2026
概括
这项研究详细介绍了2-oxo-2H-chromen-7-yl trifluoromethanesulfonate 的晶体结构. 该化合物表现出由分子间键稳定的伪平面二极体和楼梯结构.
科学领域:
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
- 有机化学 有机化学
背景情况:
- 了解有机分子的晶体包装对于预测材料性质至关重要.
- 衍生物因其多样化的生物和光物理性质而闻名.
研究的目的:
- 为了阐明2-oxo-2H-chromen-7-yl三甲硫酸盐的晶体结构.
- 分析控制晶体包装的分子间相互作用.
主要方法:
- 使用单晶X射线衍射来确定晶体结构.
- 进行了分子间接触 (C-H...O) 的分析.
主要成果:
- 该化合物在单临床空间组C2/c.中结晶.
- 伪平面二极体围绕一个反转中心形成,由C-H...O接触 (2.38 Å) 促进密切的包装.
- 双线沿b轴以阶梯形式排列,相邻的堆通过21轴和进一步的C-H...O接触 (2.35 Å) 连接在一起.
结论:
- 晶体结构揭示了一个独特的包装图案,类似楼梯的安排.
- 分子间C-H...O相互作用在稳定观察到的晶体结构方面发挥着重要作用.
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