1-(4-Bromo­phen­yl)-3-butano­ylthio­urea

In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol­ecule A) and 80.3 (0)° (mol­ecule B). The butanamide group in mol­ecule A is diso...

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Autores principales: Saeed, Sohail, Rashid, Naghmana, Jasinski, Jerry P., Butcher, Ray J., Shoaib, Muhammad
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050228/
https://www.ncbi.nlm.nih.gov/pubmed/21522755
http://dx.doi.org/10.1107/S1600536810050373
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author Saeed, Sohail
Rashid, Naghmana
Jasinski, Jerry P.
Butcher, Ray J.
Shoaib, Muhammad
author_facet Saeed, Sohail
Rashid, Naghmana
Jasinski, Jerry P.
Butcher, Ray J.
Shoaib, Muhammad
author_sort Saeed, Sohail
collection PubMed
description In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol­ecule A) and 80.3 (0)° (mol­ecule B). The butanamide group in mol­ecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (mol­ecule A) and 80.3 (0)° (mol­ecule B) from the respective benzene ring. A strong intra­molecular N—H⋯O hydrogen bond occurs in each mol­ecule. The crystal packing is stabilized by weak inter­molecular N—H⋯O and N—H⋯S hydrogen-bond inter­actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].
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spelling pubmed-30502282011-04-26 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea Saeed, Sohail Rashid, Naghmana Jasinski, Jerry P. Butcher, Ray J. Shoaib, Muhammad Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol­ecule A) and 80.3 (0)° (mol­ecule B). The butanamide group in mol­ecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (mol­ecule A) and 80.3 (0)° (mol­ecule B) from the respective benzene ring. A strong intra­molecular N—H⋯O hydrogen bond occurs in each mol­ecule. The crystal packing is stabilized by weak inter­molecular N—H⋯O and N—H⋯S hydrogen-bond inter­actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110]. International Union of Crystallography 2010-12-08 /pmc/articles/PMC3050228/ /pubmed/21522755 http://dx.doi.org/10.1107/S1600536810050373 Text en © Saeed et al. 2011 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 Organic Papers
Saeed, Sohail
Rashid, Naghmana
Jasinski, Jerry P.
Butcher, Ray J.
Shoaib, Muhammad
1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title_full 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title_fullStr 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title_full_unstemmed 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title_short 1-(4-Bromo­phen­yl)-3-butano­ylthio­urea
title_sort 1-(4-bromo­phen­yl)-3-butano­ylthio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050228/
https://www.ncbi.nlm.nih.gov/pubmed/21522755
http://dx.doi.org/10.1107/S1600536810050373
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AT jasinskijerryp 14bromophenyl3butanoylthiourea
AT butcherrayj 14bromophenyl3butanoylthiourea
AT shoaibmuhammad 14bromophenyl3butanoylthiourea

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