Literature DB >> 34026256

Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-di-chloro-phen-yl)-1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.

Farid N Naghiyev1, Tatiana A Tereshina2, Victor N Khrustalev2,3, Mehmet Akkurt4, Rovnag M Rzayev5, Anzurat A Akobirshoeva6, İbrahim G Mamedov1.   

Abstract

In the mol-ecular structure of the title compound, C16H13Cl2N5, the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter-molecular N-H⋯N and C-H⋯N hydrogen bonds form mol-ecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent mol-ecules are further linked by C-H⋯π inter-actions, 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. © Naghiyev et al. 2021.

Entities:  

Keywords:  1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine; Hirshfeld surface analysis; crystal structure; cyclo­addition product

Year:  2021        PMID: 34026256      PMCID: PMC8100256          DOI: 10.1107/S2056989021003583

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  5 in total

1.  Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri-methyl-benz-yl)oxazolidin-2-yl]phenol.

Authors:  Ali N Khalilov; Victor N Khrustalev; Elena A Fortalnova; Mehmet Akkurt; Sema Öztürk Yıldırım; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-06-10

2.  Crystal structure and Hirshfeld surface analysis of 2,2'-(phenyl-aza-nedi-yl)bis-(1-phenyl-ethan-1-one).

Authors:  Farid N Naghiyev; Victor N Khrustalev; Marina G Safronenko; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-06-07

3.  Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Nikolai U Venskovsky; Tatiana A Tereshina; Ali N Khalilov; Mehmet Akkurt; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-07-26

4.  Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Ekaterina V Dobrokhotova; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-07-05

5.  Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Nikolai U Venskovsky; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-08-26
  5 in total

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