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Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate

The title compound, C(19)H(17)NO(5), obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P2(1)/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hy­droxy isophthalate-based ester and that of the benzo­nitrile m...

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Autores principales: Muslim, Mohd, Ali, Arif, Kamaal, Saima, Ahmad, Musheer, Afzal, Mohd, Plutenko, Maksym O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273980/
https://www.ncbi.nlm.nih.gov/pubmed/32523761
http://dx.doi.org/10.1107/S2056989020004508
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author Muslim, Mohd
Ali, Arif
Kamaal, Saima
Ahmad, Musheer
Afzal, Mohd
Plutenko, Maksym O.
author_facet Muslim, Mohd
Ali, Arif
Kamaal, Saima
Ahmad, Musheer
Afzal, Mohd
Plutenko, Maksym O.
author_sort Muslim, Mohd
collection PubMed
description The title compound, C(19)H(17)NO(5), obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P2(1)/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hy­droxy isophthalate-based ester and that of the benzo­nitrile moiety. The mol­ecule is bent at the ether linkage, with a C(ar­yl)—O—C(ar­yl) bond angle of 116.74 (11)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and other weak inter­actions forming a supra­molecular framework. A Hirshfeld surface analysis was performed to generate two-dimensional fingerprint plots, which reveal the type of inter­actions occurring in the vicinity of the mol­ecule.
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spelling pubmed-72739802020-06-09 Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate Muslim, Mohd Ali, Arif Kamaal, Saima Ahmad, Musheer Afzal, Mohd Plutenko, Maksym O. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(19)H(17)NO(5), obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P2(1)/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hy­droxy isophthalate-based ester and that of the benzo­nitrile moiety. The mol­ecule is bent at the ether linkage, with a C(ar­yl)—O—C(ar­yl) bond angle of 116.74 (11)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and other weak inter­actions forming a supra­molecular framework. A Hirshfeld surface analysis was performed to generate two-dimensional fingerprint plots, which reveal the type of inter­actions occurring in the vicinity of the mol­ecule. International Union of Crystallography 2020-05-22 /pmc/articles/PMC7273980/ /pubmed/32523761 http://dx.doi.org/10.1107/S2056989020004508 Text en © Muslim et al. 2020 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Muslim, Mohd
Ali, Arif
Kamaal, Saima
Ahmad, Musheer
Afzal, Mohd
Plutenko, Maksym O.
Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title_full Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title_fullStr Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title_short Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
title_sort crystal structure and hirshfeld surface analysis of diethyl 5-(2-cyano­phen­oxy)isophthalate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273980/
https://www.ncbi.nlm.nih.gov/pubmed/32523761
http://dx.doi.org/10.1107/S2056989020004508
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