Crystal structure and Hirshfeld surface analysis of (+/-)-N '-(2-hydroxy-3-methoxybenzylidene)-2-(4-iso-butylphenyl)propionohydrazide
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.860-869, 2022 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 78
- Publication Date: 2022
- Doi Number: 10.1107/s2056989022007605
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.860-869
- Keywords: crystal structure, hydrogen bond, Schiff base, ibuprofen, Hirshfeld surface analysis, hydrazide
- Open Archive Collection: AVESIS Open Access Collection
- Erciyes University Affiliated: Yes
Abstract
The title molecule, C21H26N2O3, adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intramolecular O-H center dot center dot center dot N hydrogen bond. In the crystal, N-H center dot center dot center dot O hydrogen bonds form chains of molecules extending along the c-axis direction, together with normal van der Waals contacts. The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H center dot center dot center dot H (62.6%), C center dot center dot center dot H/H center dot center dot center dot C (15.8%) and O center dot center dot center dot H/H center dot center dot center dot O (15.3%) contacts.