Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea

The title compound, C(14)H(11)FN(2)OS, contains two mol­ecules (A and B) in the asymmetric unit, with different conformations. In mol­ecule A, the dihedral angles between the central thio­urea grouping and the phenyl and fluoro­benzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedr...

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Autores principales: Jassas, Rabab Sharaf, Asiri, Abdullah M., Arshad, Muhammad Nadeem, Zayed, Mohie E. M., Mustafa, Ghulam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186107/
https://www.ncbi.nlm.nih.gov/pubmed/25309204
http://dx.doi.org/10.1107/S1600536814018376
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author Jassas, Rabab Sharaf
Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Zayed, Mohie E. M.
Mustafa, Ghulam
author_facet Jassas, Rabab Sharaf
Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Zayed, Mohie E. M.
Mustafa, Ghulam
author_sort Jassas, Rabab Sharaf
collection PubMed
description The title compound, C(14)H(11)FN(2)OS, contains two mol­ecules (A and B) in the asymmetric unit, with different conformations. In mol­ecule A, the dihedral angles between the central thio­urea grouping and the phenyl and fluoro­benzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedral angle between the ring planes is 70.02 (9)°. Equivalent data for mol­ecule B are 8.46 (8), 47.78 (8) and 52.99 (9)°, respectively. Both mol­ecules feature an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds generate R (2) (2)(8) loops.
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spelling pubmed-41861072014-10-12 Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea Jassas, Rabab Sharaf Asiri, Abdullah M. Arshad, Muhammad Nadeem Zayed, Mohie E. M. Mustafa, Ghulam Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(14)H(11)FN(2)OS, contains two mol­ecules (A and B) in the asymmetric unit, with different conformations. In mol­ecule A, the dihedral angles between the central thio­urea grouping and the phenyl and fluoro­benzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedral angle between the ring planes is 70.02 (9)°. Equivalent data for mol­ecule B are 8.46 (8), 47.78 (8) and 52.99 (9)°, respectively. Both mol­ecules feature an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds generate R (2) (2)(8) loops. International Union of Crystallography 2014-08-16 /pmc/articles/PMC4186107/ /pubmed/25309204 http://dx.doi.org/10.1107/S1600536814018376 Text en © Jassas et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Jassas, Rabab Sharaf
Asiri, Abdullah M.
Arshad, Muhammad Nadeem
Zayed, Mohie E. M.
Mustafa, Ghulam
Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title_full Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title_fullStr Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title_full_unstemmed Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title_short Crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
title_sort crystal structure of 1-benzoyl-3-(4-fluoro­phen­yl)thio­urea
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186107/
https://www.ncbi.nlm.nih.gov/pubmed/25309204
http://dx.doi.org/10.1107/S1600536814018376
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