Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one-Reference-Cited by-同舟云学术

Synthesis, structure and Hirshfeld surface analysis of 1,3-bis[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-benzo[d]imidazol-2(3H)-one

Published:2023-11-21 Issue:12 Volume:79 Page:1179-1182
ISSN:2056-9890
Container-title:Acta Crystallographica Section E Crystallographic Communications
language:
Short-container-title:Acta Cryst E

Author:

Zouhair Mustapha,El Ghayati Lhoussaine,El Monfalouti Hanae,Abchihi Hicham,Hökelek Tuncer^ORCID,Ahmed Mazzah,Mague Joel T.^ORCID,Sebbar Nada Kheira

Abstract

The title molecule, C29H44N8O, adopts a conformation resembling a two-bladed fan with the octyl chains largely in fully extended conformations. In the crystal, C—H...O hydrogen bonds form chains of molecules extending along the b-axis direction, which are linked by weak C—H...N hydrogen bonds and C—H...π interactions to generate a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (68.3%), H...N/N...H (15.7%) and H...C/C...H (10.4%) interactions.

Funder

Tulane University

Hacettepe University Scientific Research Project Unit

Publisher

International Union of Crystallography (IUCr)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://journals.iucr.org/e/issues/2023/12/00/hb8081/hb8081.pdf

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