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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...

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Autores principales: Naghiyev, Farid N., Grishina, Maria M., Khrustalev, Victor N., Akkurt, Mehmet, Huseynova, Afet T., 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/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.
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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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