Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

The crystal structure of the title compound, C20H16BrN3O2, was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N—H O hydrogen bonds, forming a dimer with an R22(16) ring motif. The dimers are connected by further N—H O and N—H N hydrogen bonds, forming chains along the c-axis directionC—Br interactions between these chains contribute to the stabilization of the molecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H H, C H/H C, O H/H O, Br H/H Br and N H/H N interactions. © 2022 International Union of Crystallography. All rights reserved.

Authors
Mamedov I.G.1 , Khrustalev V.N. 2, 3 , Akkurt M.4 , Novikov A.P. 2 , Asgarova A.R.1 , Aliyeva K.N.1 , Akobirshoeva A.A.5
Publisher
International Union of Crystallography
Language
English
Pages
291-296
Status
Published
Volume
78
Year
2022
Organizations
  • 1 Department of Chemistry, Baku State University, 23 Z. Khalilov str., Az, Baku, 1148, Azerbaijan
  • 2 Peoples’ Friendship University of Russia (RUDN University), 6 Miklukho-Maklay str., Moscow, 117198, Russian Federation
  • 3 N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 4 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 5 Acad. Sci. Republ. Tajikistan, Kh. Yu. Yusufbekov Pamir Biol. Inst., 1 Kholdorova str., Gbao, Khorog, 736002, Tajikistan
Keywords
Crystal structure; C—Br . . .contacts; Dimers; Hirshfeld surface analysis; Hydrogen bonds; Tetrahydropyridine
Date of creation
06.07.2022
Date of change
06.07.2022
Short link
https://repository.rudn.ru/en/records/article/record/83855/
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