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

In the mol­ecular structure of the title compound, C16H13Cl2N5, the 1,4-di­hydro­pyridine ring of the 1,3,4,8-Tetra­hydro-2H-pyrido[1,2-A]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter­molecular N-H⋯N and C-H⋯N hydrogen bonds form mol­ecular sheets parallel to the (110) and ( 10) planes, crossing each other. Adjacent mol­ecules are further linked by C-H⋯π inter­actions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from N⋯H/H⋯N (28.4%), H⋯H (24.5%), C⋯H/H⋯C (21.4%) and Cl⋯H/H⋯Cl (16.1%) contacts. © 2021.

Авторы
Naghiyev F.N.1 , Tereshina T.A. 2 , Khrustalev V.N. 2, 3 , Akkurt M.4 , Rzayev R.M.5 , Akobirshoeva A.A.6 , Mamedov I.G.1
Издательство
International Union of Crystallography
Язык
Английский
Страницы
516-521
Статус
Опубликовано
Том
77
Год
2021
Организации
  • 1 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, Baku, 1148, Azerbaijan
  • 2 Peoples' Friendship University of Russia (RUDN University), Moscow, Miklukho-Maklay St. 6117198, 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
Ключевые слова
1,3,4,8-Tetra­hydro-2H-pyrido[1,2-A]pyrimidine; crystal structure; cyclo­addition product; Hirshfeld surface analysis
Дата создания
20.07.2021
Дата изменения
20.07.2021
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/74317/
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