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

ABSTRACT: In the title mol-ecule, 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 inter-calation 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.

SUBMITTER: Al-Waleedy SAH 

PROVIDER: S-EPMC8382064 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(<i>E</i>)-2-phenyl-ethen-yl]pyridin-2-yl}sulfan-yl)acetate.

Al-Waleedy Safiyyah A H SAH   Mohamed Shaaban K SK   Mague Joel T JT   Akkurt Mehmet M   Abbady Mohamed S MS   Bakhite Etify A EA  

Acta crystallographica. Section E, Crystallographic communications 20210625 Pt 7

In the title mol-ecule, C<sub>21</sub>H<sub>20</sub>N<sub>2</sub>O<sub>3</sub>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 <i>a-</i>axis direction, which pack with partial inter-calation 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%),  ...[more]

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