Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)-methyl]-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2Hbenzimidazol-2-one
Acta Crystallographica Section E: Crystallographic Communications, vol.82, pp.1077-1081, 2026 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 82
- Publication Date: 2026
- Doi Number: 10.1107/s2056989026008492
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.1077-1081
- Keywords: benzimidazole, crystal structure, C—H• • •π(ring) interaction, hydrogen bond, triazole
- Hacettepe University Affiliated: Yes
Abstract
In the title molecule, C25H21N5O2, the benzyltriazole moiety and the phenyl portion of the 3-(2-oxo-2-phenylethyl) group are disordered over two sets of sites. In the crystal, layers of molecules parallel to the ab plane are generated by C—H• • •O and C—H• • •N hydrogen bonds, enclosing R22(10) and R22(16) ring motifs, and C—H• • •π(ring) interactions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H• • •H (41.3%), H• • •C/C• • •H (31.1%), H• • •O/O• • •H (13.2%) and H• • •N/N• • •H (10.7%) interactions.