Mohamed Shaaban K, Mague Joel T, Akkurt Mehmet, Abdel-Rahman Laila H, Abdel-Hameed Mohamed, Albayati Mustafa R, Al-Taif Elham A
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England.
Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Acta Crystallogr E Crystallogr Commun. 2022 Jul 29;78(Pt 8):860-863. doi: 10.1107/S2056989022007605. eCollection 2022 Aug 1.
The title mol-ecule, CHNO, adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intra-molecular O-H⋯N hydrogen bond. In the crystal, N-H⋯O hydrogen bonds form chains of mol-ecules extending along the -axis direction, together with normal van der Waals contacts. The roles of the various inter-molecular inter-actions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (62.6%), C⋯H/H⋯C (15.8%) and O⋯H/H⋯O (15.3%) contacts.
标题分子CHNO呈V形构象，在V形构象边缘的公共切点处连接甲基的C原子具有手性，以外消旋体形式结晶。它还包含一个分子内O-H⋯N氢键。在晶体中，N-H⋯O氢键形成沿轴方向延伸的分子链，同时存在正常的范德华相互作用。通过 Hirshfeld 表面分析阐明了各种分子间相互作用的作用，结果表明对晶体堆积最重要的贡献来自H⋯H（62.6%）、C⋯H/H⋯C（15.8%）和O⋯H/H⋯O（15.3%）接触。
