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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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Detalles Bibliográficos
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
Descripción
Sumario: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.