1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate

In the title compound, C(14)H(10)N(4)O(5)S·0.5C(3)H(6)O, the nitro­benzoyl and nitro­phenyl groups have trans and cis configurations, respectively, with respect to the thio­urea S atom. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯S hydrogen bonds. The acetone solvent m...

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Detalles Bibliográficos
Autores principales: Xian, Liang, Cui, Lujuan, Cheng, Ming
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959497/
https://www.ncbi.nlm.nih.gov/pubmed/21580998
http://dx.doi.org/10.1107/S160053680803359X
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author Xian, Liang
Cui, Lujuan
Cheng, Ming
author_facet Xian, Liang
Cui, Lujuan
Cheng, Ming
author_sort Xian, Liang
collection PubMed
description In the title compound, C(14)H(10)N(4)O(5)S·0.5C(3)H(6)O, the nitro­benzoyl and nitro­phenyl groups have trans and cis configurations, respectively, with respect to the thio­urea S atom. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯S hydrogen bonds. The acetone solvent mol­ecule possesses a crystallographically imposed twofold axis. In the crystal packing, thio­urea mol­ecules are linked by inter­molecular C—H⋯O hydrogen-bond inter­actions to form chains running parallel to the c axis. The chains are further bridged via N—H⋯O and C—H⋯O hydrogen bonds involving the acetone mol­ecules.
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spelling pubmed-29594972010-12-30 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate Xian, Liang Cui, Lujuan Cheng, Ming Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(10)N(4)O(5)S·0.5C(3)H(6)O, the nitro­benzoyl and nitro­phenyl groups have trans and cis configurations, respectively, with respect to the thio­urea S atom. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯S hydrogen bonds. The acetone solvent mol­ecule possesses a crystallographically imposed twofold axis. In the crystal packing, thio­urea mol­ecules are linked by inter­molecular C—H⋯O hydrogen-bond inter­actions to form chains running parallel to the c axis. The chains are further bridged via N—H⋯O and C—H⋯O hydrogen bonds involving the acetone mol­ecules. International Union of Crystallography 2008-10-18 /pmc/articles/PMC2959497/ /pubmed/21580998 http://dx.doi.org/10.1107/S160053680803359X Text en © Xian et al. 2008 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
Xian, Liang
Cui, Lujuan
Cheng, Ming
1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title_full 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title_fullStr 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title_full_unstemmed 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title_short 1-(4-Nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
title_sort 1-(4-nitro­benzo­yl)-3-(4-nitro­phen­yl)­thio­urea acetone hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959497/
https://www.ncbi.nlm.nih.gov/pubmed/21580998
http://dx.doi.org/10.1107/S160053680803359X
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AT cuilujuan 14nitrobenzoyl34nitrophenylthioureaacetonehemisolvate
AT chengming 14nitrobenzoyl34nitrophenylthioureaacetonehemisolvate

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