Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(E)-2-phenylethenyl]pyridin-2-yl}sulfanyl)acetate

Acta Crystallographica Section E: Crystallographic Communications

Mohamed S. Abbady¹  Etify A. Bakhite¹  Shaaban K. Mohamed²  Safiyyah A. H. Al-Waleedy³  Joel T. Mague⁴  Mehmet Akkurt⁵ 

[1] Chemistry Department, Faculty of Science, Assiut University, Assiut 71516, Egypt;Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England;Department of Chemistry, Faculty of Science, Taiz University, Taiz, Yemen;Department of Chemistry, Tulane University, New Orleans, LA 70118, USA;Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey;

关键词: crystal structure;    pyridine;    styryl;    ester;    hydrogen bond;    hirshfeld surface analysis;   

DOI  :  10.1107/S2056989021005600

来源: DOAJ

【 摘 要 】

In the title molecule, C21H20N2O3S, the styryl and ester substituents are displaced to opposite sides of the plane of the pyridine ring. In the crystal, C—H...O hydrogen bonds form chains extending parallel to the a-axis direction, which pack with partial intercalation of the styryl and ester substituents. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H...H (43.6%), C...H/H...C (15.6%), O...H/H...O (14.9%) and N...H/H...N (11.2%) contacts.

【 授权许可】

Unknown