Literature DB >> 33614153

Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetra-hydro-iso-quinoline-4-carbo-nitrile.

Farid N Naghiyev1, Maria M Grishina2, Victor N Khrustalev2,3, Ali N Khalilov1,4, Mehmet Akkurt5, Anzurat A Akobirshoeva6, İbrahim G Mamedov1.   

Abstract

In the title compound, C28H21N3O, the 1,2-di-hydro-pyridine ring of the 1,2,7,8-tetra-hydro-iso-quinoline ring system is planar as expected, while the cyclo-hexa-1,3-diene ring has a twist-boat conformation, with Cremer-Pople parameters Q T = 0.367 (2) A, θ = 117.3 (3)° and φ = 327.3 (4)°. The dihedral angles between the best planes through the iso-quinoline ring system and the three phenyl rings are 81.69 (12), 82.45 (11) and 47.36 (10)°. In the crystal, mol-ecules are linked via N-H⋯O and C-H⋯N hydrogen bonds, forming a three-dimensional network. Furthermore, the crystal packing is dominated by C-H⋯π bonds with a strong inter-action involving the phenyl H atoms. The role of the inter-molecular inter-actions in the crystal packing was clarified using Hirshfeld surface analysis, and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (46.0%), C⋯H/H⋯C (35.1%) and N⋯H/H⋯N (10.5%) contacts. © Naghiyev et al. 2021.

Entities:  

Keywords:  1,2,7,8-tetra­hydro­iso­quinoline ring system; Hirshfeld surface analysis; crystal structure; cyclo­condensation product

Year:  2021        PMID: 33614153      PMCID: PMC7869549          DOI: 10.1107/S2056989021000785

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  4 in total

1.  Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hy-droxy-8-(4-meth-oxyphen-yl)-1,6-dimethyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl-]sulfan-yl}acetic acid ethyl ester.

Authors:  Elham A Al-Taifi; Islam S Marae; Yasser A El-Ossaily; Shaaban K Mohamed; Joel T Mague; Mehmet Akkurt; Etify A Bakhite
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2022-01-25

2.  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

3.  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

4.  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
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.