Cargando…

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, C(16)H(15)N(5), 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...

Descripción completa

Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Tereshina, Tatiana A., Khrustalev, Victor N., Akkurt, Mehmet, Khalilov, Ali N., Akobirshoeva, Anzurat A., Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100277/
https://www.ncbi.nlm.nih.gov/pubmed/34026255
http://dx.doi.org/10.1107/S2056989021003625
_version_ 1783688750839103488
author Naghiyev, Farid N.
Tereshina, Tatiana A.
Khrustalev, Victor N.
Akkurt, Mehmet
Khalilov, Ali N.
Akobirshoeva, Anzurat A.
Mamedov, İbrahim G.
author_facet Naghiyev, Farid N.
Tereshina, Tatiana A.
Khrustalev, Victor N.
Akkurt, Mehmet
Khalilov, Ali N.
Akobirshoeva, Anzurat A.
Mamedov, İbrahim G.
author_sort Naghiyev, Farid N.
collection PubMed
description In the title compound, C(16)H(15)N(5), 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.
format Online
Article
Text
id pubmed-8100277
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-81002772021-05-21 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 Naghiyev, Farid N. Tereshina, Tatiana A. Khrustalev, Victor N. Akkurt, Mehmet Khalilov, Ali N. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(15)N(5), 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. International Union of Crystallography 2021-04-09 /pmc/articles/PMC8100277/ /pubmed/34026255 http://dx.doi.org/10.1107/S2056989021003625 Text en © Naghiyev et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Naghiyev, Farid N.
Tereshina, Tatiana A.
Khrustalev, Victor N.
Akkurt, Mehmet
Khalilov, Ali N.
Akobirshoeva, Anzurat A.
Mamedov, İbrahim G.
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100277/
https://www.ncbi.nlm.nih.gov/pubmed/34026255
http://dx.doi.org/10.1107/S2056989021003625
work_keys_str_mv AT naghiyevfaridn crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT tereshinatatianaa crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT khrustalevvictorn crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT akkurtmehmet crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT khalilovalin crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT akobirshoevaanzurata crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile
AT mamedovibrahimg crystalstructureandhirshfeldsurfaceanalysisof6amino8phenyl1348tetrahydro2hpyrido12apyrimidine79dicarbonitrile