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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7273980 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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