Rayni Ibtissam, El Bakri Youness, Lai Chin-Hung, El Ghayati L'houssaine, Essassi El Mokhtar, Mague Joel T
Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, URAC 21, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
Organic Chemistry Department, Science Faculty, RUDN University, Miklukho-Maklaya st. 6, 117198 Moscow, Russian Federation.
Acta Crystallogr E Crystallogr Commun. 2019 Jan 1;75(Pt 1):21-25. doi: 10.1107/S2056989018017267.
In the title mol-ecule, CHNO, the 1-decyl substituents are in an extended conformation and inter-calate in the crystal packing to form hydro-phobic bands. The packing is further organized by π-π-stacking inter-actions between pyrrole and phenyl rings [centroid-centroid distance = 3.6178 (11) Å] and a C=O⋯π(pyrrole) inter-action [3.447 (2) Å]. Hirshfeld surface analysis indicates that the H⋯N/N⋯H inter-actions make the highest contribution (17.4%) to the crystal packing.
在标题分子CHNO中，1-癸基取代基呈伸展构象，并在晶体堆积中插入形成疏水带。堆积通过吡咯环与苯环之间的π-π堆积相互作用（质心-质心距离 = 3.6178 (11) Å）和C=O⋯π(吡咯)相互作用（3.447 (2) Å）进一步排列。 Hirshfeld表面分析表明，H⋯N/N⋯H相互作用对晶体堆积的贡献最大（17.4%）。
