Literature DB >> 34026255

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-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, Ali N Khalilov1,5, Anzurat A Akobirshoeva6, İbrahim G Mamedov1.   

Abstract

In the title compound, C16H15N5, the 1,4-di-hydro-pyridine 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 inter-actions help to consolidate the double layers and van der Waals inter-actions 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. © Naghiyev et al. 2021.

Entities:  

Keywords:  Hirshfeld surface analysis; crystal structure; cyclo­addition product; pyrido[1,2-a]pyrimidine

Year:  2021        PMID: 34026255      PMCID: PMC8100277          DOI: 10.1107/S2056989021003625

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  3 in total

1.  Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.

Authors:  Khammed A Asadov; Victor N Khrustalev; Ekaterina V Dobrokhotova; Mehmet Akkurt; Afet T Huseynova; Anzurat A Akobirshoeva; Elnur Z Huseynov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-02-22

2.  Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.

Authors:  Ibrahim G Mamedov; Victor N Khrustalev; Mehmet Akkurt; Anton P Novikov; Ayten R Asgarova; Khatira N Aliyeva; Anzurat A Akobirshoeva
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-02-03

3.  Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indoline]-6,8-dicarbo-nitrile dimethyl sulfoxide disolvate.

Authors:  Farid N Naghiyev; Victor N Khrustalev; Anton P Novikov; Mehmet Akkurt; Rovnag M Rzayev; Anzurat A Akobirshoeva; Ibrahim G Mamedov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-05-10
  3 in total

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