Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid - Université de Lorraine Access content directly
Journal Articles Acta crystallographica Section E : Crystallographic communications [2015-...] Year : 2020

Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid

Abstract

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
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hal-02974958 , version 1 (09-01-2024)

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Finagnon Hyacinthe Agnimonhan, El-Eulmi Bendeif, Léon Ahoussi Akanni, Ahokannou Fernand Gbaguidi, Eddy Martin, et al.. Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid. Acta crystallographica Section E : Crystallographic communications [2015-..], 2020, 76 (4), pp.581-584. ⟨10.1107/S2056989020003977⟩. ⟨hal-02974958⟩
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