Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid
4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C12H13NO3S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P21/n. The morpholine ring adopts a chair conformation and the carboxylic acid group is bent out slightly from the benzene ring mean plane. The mole...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020003977 |
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| author | Finagnon Hyacinthe Agnimonhan El-Eulmi Bendeif Léon Ahoussi Akanni Ahokannou Fernand Gbaguidi Eddy Martin Emmanuel Wenger Claude Lecomte |
| author_facet | Finagnon Hyacinthe Agnimonhan El-Eulmi Bendeif Léon Ahoussi Akanni Ahokannou Fernand Gbaguidi Eddy Martin Emmanuel Wenger Claude Lecomte |
| author_sort | Finagnon Hyacinthe Agnimonhan |
| collection | DOAJ |
| description | 4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C12H13NO3S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P21/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. |
| first_indexed | 2024-04-11T20:03:43Z |
| format | Article |
| id | doaj.art-96ad0fc9fb9b4d5db2bb5350ef762c55 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T20:03:43Z |
| publishDate | 2020-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-96ad0fc9fb9b4d5db2bb5350ef762c552022-12-22T04:05:26ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-04-0176458158410.1107/S2056989020003977dx2024Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acidFinagnon Hyacinthe Agnimonhan0El-Eulmi Bendeif1Léon Ahoussi Akanni2Ahokannou Fernand Gbaguidi3Eddy Martin4Emmanuel Wenger5Claude Lecomte6Laboratoire de Chimie Organique Physique et de Synthèse., Faculté des Sciences et Techniques (FAST), Université Abomey-Calavi, BP 526 Cotonou, BeninCRM2, UMR CNRS 7036, Université de Lorraine, F-54506, Vandoeuvre-lès-Nancy, FranceLaboratoire de Chimie Organique Physique et de Synthèse., Faculté des Sciences et Techniques (FAST), Université Abomey-Calavi, BP 526 Cotonou, BeninLaboratoire de Chimie Organique Physique et de Synthèse., Faculté des Sciences et Techniques (FAST), Université Abomey-Calavi, BP 526 Cotonou, BeninBruker France SAS, 4 allée Lorentz Champs sur Marne, 77447 Marne la Vallée Cedex 2, FranceCRM2 UMR CNRS 7036, Université de Lorraine, F-54506, Vandoeuvre-lès-Nancy, FranceCRM2, UMR CNRS 7036, Université de Lorraine, F-54506, Vandoeuvre-lès-Nancy, France4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C12H13NO3S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P21/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.http://scripts.iucr.org/cgi-bin/paper?S2056989020003977crystal structurephenyl(morpholino)methanethione |
| spellingShingle | Finagnon Hyacinthe Agnimonhan El-Eulmi Bendeif Léon Ahoussi Akanni Ahokannou Fernand Gbaguidi Eddy Martin Emmanuel Wenger Claude Lecomte Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid Acta Crystallographica Section E: Crystallographic Communications crystal structure phenyl(morpholino)methanethione |
| 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 | crystal structure phenyl(morpholino)methanethione |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989020003977 |
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