Crystal structure and Hirshfeld surface analysis of 6-Amino-8-phenyl-1,3,4,8-Tetra­hydro-2H-pyrido[1,2-A]pyrimidine-7,9-dicarbo­nitrile

In the title compound, C16H15N5, the 1,4-di­hydro­pyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H⋯N hydrogen bonds generate centrosymmetric dimers featuring R 2 2(12) motifs and C-H⋯N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H⋯π and N-H⋯π inter­actions help to consolidate the double layers and van der Waals inter­actions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (38.5%), N⋯H/H⋯N (33.3%) and C⋯H/H⋯C (27.3%) contacts. © 2021.

Authors
Naghiyev F.N.1 , Tereshina T.A. 2 , Khrustalev V.N. 2, 3 , Akkurt M.4 , Khalilov A.N.1, 5 , Akobirshoeva A.A.6 , Mamedov I.G.1
Publisher
International Union of Crystallography
Language
English
Pages
512-515
Status
Published
Volume
77
Year
2021
Organizations
  • 1 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, Baku, 1148, Azerbaijan
  • 2 Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, 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 Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az, Baku, 1063, Azerbaijan
  • 6 Acad. Sci. Republ. Tadzhikistan, Kh Yu Yusufbekov Pamir Biol. Inst., 1 Kholdorova St, Khorog, Gbao, 736002, Tajikistan
Keywords
crystal structure; cyclo­addition product; Hirshfeld surface analysis; pyrido[1,2-A]pyrimidine
Date of creation
20.07.2021
Date of change
20.07.2021
Short link
https://repository.rudn.ru/en/records/article/record/74318/
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