Crystal structure and Hirshfeld surface analysis of 3,3'-[ethane-1,2-diylbis(-oxy)]bis-(5,5-di-methyl-cyclo-hex-2-en-1-one) including an unknown solvate.
Acta Crystallogr E Crystallogr Commun
; 80(Pt 6): 615-619, 2024 May 01.
Article
em En
| MEDLINE
| ID: mdl-38845722
ABSTRACT
The title mol-ecule, C18H26O4, consists of two symmetrical halves related by the inversion centre at the mid-point of the central -C-C- bond. The hexene ring adopts an envelope conformation. In the crystal, the mol-ecules are connected into dimers by C-Hâ¯O hydrogen bonds with R 2 2(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, Hâ¯H (68.2%) and Oâ¯H/Hâ¯O (25.9%) inter-actions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 â¸). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported mol-ecular weight and density.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Azerbaidjão
País de publicação:
Reino Unido