El Moutaouakil Ala Allah Abderrazzak, Kariuki Benson M, Al-Sulami Ahlam I, Basha Maram T, Allehyani Basmah H, Alsubari Abdulsalam, Mague Joel T, Ramli Youssef
Laboratory of Medicinal Chemistry Drug Sciences Research Center Faculty of Medicine and Pharmacy Mohammed V University in Rabat Morocco.
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, United Kingdom.
Acta Crystallogr E Crystallogr Commun. 2025 Jun 17;81(Pt 7):627-631. doi: 10.1107/S2056989025004530. eCollection 2025 Jul 1.
The asymmetric unit of the title compound, CHNO, consists of two independent mol-ecules differing in the rotational orientation of the 2-azido-acetamido group. In the crystal, inspection of the contacts of the methyl groups shows an intra-molecular H⋯O distance of 2.47 Å in one mol-ecule and inter-molecular H⋯N distances of 2.75 Å in both independent mol-ecules. Both are definitely van der Waals contacts with the latter quite short as the H⋯O distance is 0.39 Å less than the sum of the respective van der Waals radii. A Hirshfeld surface analysis indicates that the H⋯H contacts make the largest contribution. In the absence of any specific C-H⋯N hydrogen bonds, the significant contribution of N⋯H/H⋯N contacts (24.7%) might seem surprising, but with the azide group projecting away from the rest of the mol-ecule, there is considerable opportunity for such contacts to occur.
标题化合物CHNO的不对称单元由两个独立分子组成，这两个分子在2-叠氮基乙酰氨基的旋转取向上有所不同。在晶体中，对甲基接触情况的检查表明，一个分子内的H⋯O距离为2.47 Å，两个独立分子中的分子间H⋯N距离均为2.75 Å。两者肯定都是范德华接触，后者相当短，因为H⋯O距离比各自范德华半径之和小0.39 Å。 Hirshfeld表面分析表明，H⋯H接触的贡献最大。在没有任何特定C-H⋯N氢键的情况下，N⋯H/H⋯N接触（24.7%）的显著贡献可能看起来令人惊讶，但由于叠氮基团远离分子的其余部分，有相当多机会发生这种接触。
