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Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid
4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C(12)H(13)NO(3)S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P2(1)/n. The morpholine ring adopts a chair conformation and the carboxylic acid group is bent out slightly from the benzene ring mean pla...
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/PMC7133049/ https://www.ncbi.nlm.nih.gov/pubmed/32280508 http://dx.doi.org/10.1107/S2056989020003977 |
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author | Agnimonhan, Finagnon Hyacinthe Bendeif, El-Eulmi Akanni, Léon Ahoussi Gbaguidi, Ahokannou Fernand Martin, Eddy Wenger, Emmanuel Lecomte, Claude |
author_facet | Agnimonhan, Finagnon Hyacinthe Bendeif, El-Eulmi Akanni, Léon Ahoussi Gbaguidi, Ahokannou Fernand Martin, Eddy Wenger, Emmanuel Lecomte, Claude |
author_sort | Agnimonhan, Finagnon Hyacinthe |
collection | PubMed |
description | 4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C(12)H(13)NO(3)S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P2(1)/n. The morpholine ring adopts a chair conformation and the carboxylic acid group is bent out slightly from the benzene ring mean plane. The molecular geometry of the carboxylic group is characterized by similar C—O bond lengths [1.266 (2) and 1.268 (2) Å] as the carboxylate H atom is disordered over two positions. This molecular arrangement leads to the formation of dimers through strong and centrosymmetric low barrier O—H⋯O hydrogen bonds between the carboxylic groups. In addition to these intermolecular interactions, the crystal packing consists of two different molecular sheets with an angle between their mean planes of 64.4 (2)°. The cohesion between the different layers is ensured by C—H⋯S and C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-7133049 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-71330492020-04-10 Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid Agnimonhan, Finagnon Hyacinthe Bendeif, El-Eulmi Akanni, Léon Ahoussi Gbaguidi, Ahokannou Fernand Martin, Eddy Wenger, Emmanuel Lecomte, Claude Acta Crystallogr E Crystallogr Commun Research Communications 4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C(12)H(13)NO(3)S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P2(1)/n. The morpholine ring adopts a chair conformation and the carboxylic acid group is bent out slightly from the benzene ring mean plane. The molecular geometry of the carboxylic group is characterized by similar C—O bond lengths [1.266 (2) and 1.268 (2) Å] as the carboxylate H atom is disordered over two positions. This molecular arrangement leads to the formation of dimers through strong and centrosymmetric low barrier O—H⋯O hydrogen bonds between the carboxylic groups. In addition to these intermolecular interactions, the crystal packing consists of two different molecular sheets with an angle between their mean planes of 64.4 (2)°. The cohesion between the different layers is ensured by C—H⋯S and C—H⋯O interactions. International Union of Crystallography 2020-03-27 /pmc/articles/PMC7133049/ /pubmed/32280508 http://dx.doi.org/10.1107/S2056989020003977 Text en © Agnimonhan 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 Agnimonhan, Finagnon Hyacinthe Bendeif, El-Eulmi Akanni, Léon Ahoussi Gbaguidi, Ahokannou Fernand Martin, Eddy Wenger, Emmanuel Lecomte, Claude Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title | Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title_full | Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title_fullStr | Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title_full_unstemmed | Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title_short | Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
title_sort | crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133049/ https://www.ncbi.nlm.nih.gov/pubmed/32280508 http://dx.doi.org/10.1107/S2056989020003977 |
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