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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...

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Autores principales: Agnimonhan, Finagnon Hyacinthe, Bendeif, El-Eulmi, Akanni, Léon Ahoussi, Gbaguidi, Ahokannou Fernand, Martin, Eddy, Wenger, Emmanuel, Lecomte, Claude
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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.
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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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