Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate

In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid–centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol­ecules suggests the existence of π-π stacking. Inter­molecular and intra-mol­ecular N—H⋯O...

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Detalles Bibliográficos
Autores principales: Saeed, Sohail, Rashid, Naghmana, Bhatti, Moazzam H., Wong, Wing-Tak
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089348/
https://www.ncbi.nlm.nih.gov/pubmed/21754430
http://dx.doi.org/10.1107/S1600536811012918
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author Saeed, Sohail
Rashid, Naghmana
Bhatti, Moazzam H.
Wong, Wing-Tak
author_facet Saeed, Sohail
Rashid, Naghmana
Bhatti, Moazzam H.
Wong, Wing-Tak
author_sort Saeed, Sohail
collection PubMed
description In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid–centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol­ecules suggests the existence of π-π stacking. Inter­molecular and intra-mol­ecular N—H⋯O hydrogen bonding is present in the structure. The eth­oxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin.
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spelling pubmed-30893482011-07-13 Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate Saeed, Sohail Rashid, Naghmana Bhatti, Moazzam H. Wong, Wing-Tak Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid–centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol­ecules suggests the existence of π-π stacking. Inter­molecular and intra-mol­ecular N—H⋯O hydrogen bonding is present in the structure. The eth­oxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin. International Union of Crystallography 2011-04-13 /pmc/articles/PMC3089348/ /pubmed/21754430 http://dx.doi.org/10.1107/S1600536811012918 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
Bhatti, Moazzam H.
Wong, Wing-Tak
Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title_full Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title_fullStr Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title_full_unstemmed Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title_short Ethyl 2-[3-(3,5-Dinitrobenzo­yl)thio­ureido]benzoate
title_sort ethyl 2-[3-(3,5-dinitrobenzo­yl)thio­ureido]benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089348/
https://www.ncbi.nlm.nih.gov/pubmed/21754430
http://dx.doi.org/10.1107/S1600536811012918
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AT wongwingtak ethyl2335dinitrobenzoylthioureidobenzoate

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