Mohamed Shaaban K, Said Awad I, Mague Joel T, El-Emary Talaat I, Akkurt Mehmet, Elgarhy Sahar M I
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. 2021 Mar 5;77(Pt 4):356-359. doi: 10.1107/S2056989021002358. eCollection 2021 Apr 1.
In the title compound, CHNO, the two fused five-membered rings and their N-bound aromatic substituents form a pincer-like motif. The relative conformations about the three chiral carbon atoms are established. In the crystal, a combination of C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) inter-actions leads to the formation of layers parallel to the plane. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (44.3%), C⋯H/H⋯C (29.8%) and O⋯H/H⋯O (15.0%) contacts.
在标题化合物CHNO中，两个稠合的五元环及其与N相连的芳基取代基形成类似钳子的结构单元。确定了三个手性碳原子的相对构象。在晶体中，C-H⋯O和C-H⋯N氢键以及C-H⋯π(环)相互作用的组合导致形成平行于平面的层。 Hirshfeld表面分析表明，对晶体堆积贡献最大的是H⋯H（44.3%）、C⋯H/H⋯C（29.8%）和O⋯H/H⋯O（15.0%）接触。
