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

In the title molecule, C 21 H 20 N 2 O 3 S, 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 est...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-07, Vol.77 (7), p.730-733
Main Authors: Al-Waleedy, Safiyyah A. H., Mohamed, Shaaban K., Mague, Joel T., Akkurt, Mehmet, Abbady, Mohamed S., Bakhite, Etify A.
Format: Article
Language:English
Subjects:
crystal structure
ester
hirshfeld surface analysis
hydrogen bond
pyridine
styryl
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Summary:In the title molecule, C 21 H 20 N 2 O 3 S, 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989021005600