"N"-[E]-5-Oxopyrrolidin-2-yl-idene]pyridine-2-carbohydrazide的使用情况
Yurii S Bibik1, Hanna V Ivanova1, Dmytro M Khomenko1,2
1Department of Chemistry Kyiv National Taras Shevchenko University Hetman Pavlo Skoropadskyi Street 12 Kyiv 01033 Ukraine.
IUCrData
|November 12, 2025
概括
这项研究详细介绍了一种化合物的晶体结构,其公式是C10H10N4O2.2. 它揭示了其化和氧-化环之间的轻微二面角,与键形成特定的晶体环.
科学领域:
- 晶体学 晶体学是指结晶学.
- 有机化学 有机化学
- 超分子化学 超分子化学
背景情况:
- 了解有机分子中原子的三维排列对于预测它们的特性和反应性至关重要.
- 晶体工程利用分子间相互作用,如键,来设计和控制化合物的固态结构.
- 标题化合物C10H10N4O2具有独特的异环环组合,有可能产生有趣的结构图案.
研究的目的:
- 为了阐明标题化合物 (C10H10N4O2) 的精确晶体结构.
- 量化里丁和氧-里丁环系统之间的二面角.
- 识别和描述控制晶体包装的分子间相互作用.
主要方法:
- 使用单晶X射线衍射来确定分子和晶体结构.
- 剑桥晶体数据中心 (CCDC) 用于数据存储和分析.
- 用标准晶体学软件对结网和几何参数进行了分析.
主要成果:
- 成功确定了C10H10N4O2的晶体结构.
- 在化和氧-化环平面之间测量了6.9的二面角2°,表明近平面性.
- 通过N-HO键促进的倒置二极体被确定,在晶格中形成了特征性的R2^2(14) 循环.
结论:
- 晶体结构为标题化合物的空间布局提供了详细的见解.
- 观察到的二面角表明了固态中首选的形状.
- 联网突出了分子间力量在指导晶体组装中的作用.
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