Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid

The asymmetric unit of the title mol­ecule, C(12)H(12)O(3), contains two independent mol­ecules having opposite conformations and each forming self-dimers through complementary O—H⋯O hydrogen bonds. These dimers are linked by weak C—H⋯π inter­actions and C—H⋯O hydrogen bonds into a three-dimensional...

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Autores principales: Assila, Hamza, Zaoui, Younes, Ameziane El Hassani, Issam, El Ghammarti, Samira, Mague, Joel T., Taoufik, Jamal, Ramli, Youssef, Ansar, Mhammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431796/
https://www.ncbi.nlm.nih.gov/pubmed/36072148
http://dx.doi.org/10.1107/S2056989022004789
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author Assila, Hamza
Zaoui, Younes
Ameziane El Hassani, Issam
El Ghammarti, Samira
Mague, Joel T.
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
author_facet Assila, Hamza
Zaoui, Younes
Ameziane El Hassani, Issam
El Ghammarti, Samira
Mague, Joel T.
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
author_sort Assila, Hamza
collection PubMed
description The asymmetric unit of the title mol­ecule, C(12)H(12)O(3), contains two independent mol­ecules having opposite conformations and each forming self-dimers through complementary O—H⋯O hydrogen bonds. These dimers are linked by weak C—H⋯π inter­actions and C—H⋯O hydrogen bonds into a three-dimensional structure in which one can discern layers parallel to the bc plane. A Hirshfeld surface analysis of the inter­molecular inter­actions is included.
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spelling pubmed-94317962022-09-06 Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid Assila, Hamza Zaoui, Younes Ameziane El Hassani, Issam El Ghammarti, Samira Mague, Joel T. Taoufik, Jamal Ramli, Youssef Ansar, Mhammed Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title mol­ecule, C(12)H(12)O(3), contains two independent mol­ecules having opposite conformations and each forming self-dimers through complementary O—H⋯O hydrogen bonds. These dimers are linked by weak C—H⋯π inter­actions and C—H⋯O hydrogen bonds into a three-dimensional structure in which one can discern layers parallel to the bc plane. A Hirshfeld surface analysis of the inter­molecular inter­actions is included. International Union of Crystallography 2022-05-13 /pmc/articles/PMC9431796/ /pubmed/36072148 http://dx.doi.org/10.1107/S2056989022004789 Text en © Assila et al. 2022 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
Assila, Hamza
Zaoui, Younes
Ameziane El Hassani, Issam
El Ghammarti, Samira
Mague, Joel T.
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title_full Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title_fullStr Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title_short Crystal structure and Hirshfeld surface analysis of (E)-3-benzyl­idene-4-oxo­penta­noic acid
title_sort crystal structure and hirshfeld surface analysis of (e)-3-benzyl­idene-4-oxo­penta­noic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431796/
https://www.ncbi.nlm.nih.gov/pubmed/36072148
http://dx.doi.org/10.1107/S2056989022004789
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