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Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate
The molecular conformation of the title compound, C(17)H(14)ClN(3)O(4), is stabilized by an intramolecular C—H⋯O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N—H⋯O hydrogen-bond pairs along the b-axis direction as dimers with R (2) (2)(8) and R (2) (2)(14) r...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382051/ https://www.ncbi.nlm.nih.gov/pubmed/34513022 http://dx.doi.org/10.1107/S2056989021006459 |
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author | Naghiyev, Farid N. Grishina, Maria M. Khrustalev, Victor N. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
author_facet | Naghiyev, Farid N. Grishina, Maria M. Khrustalev, Victor N. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
author_sort | Naghiyev, Farid N. |
collection | PubMed |
description | The molecular conformation of the title compound, C(17)H(14)ClN(3)O(4), is stabilized by an intramolecular C—H⋯O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N—H⋯O hydrogen-bond pairs along the b-axis direction as dimers with R (2) (2)(8) and R (2) (2)(14) ring motifs and as ribbons formed by intermolecular C—H⋯N hydrogen bonds. There are weak van der Waals interactions between the ribbons. The most important contributions to the surface contacts are from H⋯H (34.9%), O⋯H/H⋯O (19.2%), C⋯H/H⋯C (11.9%), Cl⋯H/H⋯Cl (10.7%) and N⋯H/H⋯N (10.4%) interactions, as concluded from a Hirshfeld surface analysis. |
format | Online Article Text |
id | pubmed-8382051 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-83820512021-09-09 Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate Naghiyev, Farid N. Grishina, Maria M. Khrustalev, Victor N. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications The molecular conformation of the title compound, C(17)H(14)ClN(3)O(4), is stabilized by an intramolecular C—H⋯O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N—H⋯O hydrogen-bond pairs along the b-axis direction as dimers with R (2) (2)(8) and R (2) (2)(14) ring motifs and as ribbons formed by intermolecular C—H⋯N hydrogen bonds. There are weak van der Waals interactions between the ribbons. The most important contributions to the surface contacts are from H⋯H (34.9%), O⋯H/H⋯O (19.2%), C⋯H/H⋯C (11.9%), Cl⋯H/H⋯Cl (10.7%) and N⋯H/H⋯N (10.4%) interactions, as concluded from a Hirshfeld surface analysis. International Union of Crystallography 2021-06-25 /pmc/articles/PMC8382051/ /pubmed/34513022 http://dx.doi.org/10.1107/S2056989021006459 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. Grishina, Maria M. Khrustalev, Victor N. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title | Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title_full | Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title_short | Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
title_sort | crystal structure and hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382051/ https://www.ncbi.nlm.nih.gov/pubmed/34513022 http://dx.doi.org/10.1107/S2056989021006459 |
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