Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid
-
Published:2020-03-27
Issue:4
Volume:76
Page:581-584
-
ISSN:2056-9890
-
Container-title:Acta Crystallographica Section E Crystallographic Communications
-
language:
-
Short-container-title:Acta Cryst E
Author:
Agnimonhan Finagnon Hyacinthe,Bendeif El-Eulmi,Akanni Léon Ahoussi,Gbaguidi Ahokannou Fernand,Martin Eddy,Wenger Emmanuel,Lecomte Claude
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.
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry
Reference25 articles.
1. Agnimonhan, H. F., Ahoussi, L. A., Glinma, B., Kohoudé, J. M., Gbaguidi, F. A., Kpoviessi, S. D. S., Poupaert, J. H. & Accrombessi, G. C. (2017). Organic Chemistry: Current Research. 6, 2, 1-5.
2. The Cambridge Structural Database: a quarter of a million crystal structures and rising
3. CIF applications. XV.enCIFer: a program for viewing, editing and visualizing CIFs
4. The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid
5. Bruker (2019). APEX3, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cited by
1 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献