| Autor: |
Elmachkouri, Younesse Ait, Saber, Asmaa, Irrou, Ezaddine, Amer, Bushra, Mague, Joel T., Hökelek, Tuncer, Taha, Mohamed Labd, Sebbar, Nada Kheira, Essassi, El Mokhtar |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; May2021, Vol. 77 Issue 5, Following p559-563, 11p |
| Abstrakt: |
The title molecule, C17H26N2O, adopts an L-shaped conformation, with the straight n-decyl chain positioned nearly perpendicular to the dihydrobenzimidazole moiety. The dihydrobenzimidazole portion is not quite planar as there is a dihedral angle of 1.20 (6)° between the constituent planes. In the crystal, N—H⋯O hydrogen bonds form inversion dimers, which are connected into the three-dimensional structure by C—H⋯O hydrogen bonds and C—H⋯π(ring) interactions. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (75.9%), H⋯C/C⋯H (12.5%) and H⋯O/O⋯H (7.0%) interactions. Based on computational chemistry using the CE–B3LYP/6–31 G(d,p) energy model, C—H⋯O hydrogen bond energies are −74.9 (for N—H⋯O) and −42.7 (for C—H⋯O) kJ mol−1. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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