N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea

In the two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(9)N(3)O(2)S, the aza­tricyclo­trideca­penta­ene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicular [dihedral...

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Detalles Bibliográficos
Autores principales: Al-Salahi, Rashad, Al-Omar, Mohamed, Marzouk, Mohamed, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379385/
https://www.ncbi.nlm.nih.gov/pubmed/22719583
http://dx.doi.org/10.1107/S1600536812021812
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author Al-Salahi, Rashad
Al-Omar, Mohamed
Marzouk, Mohamed
Ng, Seik Weng
author_facet Al-Salahi, Rashad
Al-Omar, Mohamed
Marzouk, Mohamed
Ng, Seik Weng
author_sort Al-Salahi, Rashad
collection PubMed
description In the two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(9)N(3)O(2)S, the aza­tricyclo­trideca­penta­ene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicular [dihedral angles = 82.4 (1) and 82.7 (1)°]. In the crystal, the mol­ecules associate by N—H⋯O hydrogen bonds, forming a chain running along the a axis. The crystal studied was a non-merohedral twin with a fractional contribution of 49.6 (1)% for the minor domain.
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spelling pubmed-33793852012-06-20 N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea Al-Salahi, Rashad Al-Omar, Mohamed Marzouk, Mohamed Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the two independent mol­ecules in the asymmetric unit of the title compound, C(13)H(9)N(3)O(2)S, the aza­tricyclo­trideca­penta­ene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicular [dihedral angles = 82.4 (1) and 82.7 (1)°]. In the crystal, the mol­ecules associate by N—H⋯O hydrogen bonds, forming a chain running along the a axis. The crystal studied was a non-merohedral twin with a fractional contribution of 49.6 (1)% for the minor domain. International Union of Crystallography 2012-05-19 /pmc/articles/PMC3379385/ /pubmed/22719583 http://dx.doi.org/10.1107/S1600536812021812 Text en © Al-Salahi et al. 2012 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
Al-Salahi, Rashad
Al-Omar, Mohamed
Marzouk, Mohamed
Ng, Seik Weng
N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title_full N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title_fullStr N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title_full_unstemmed N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title_short N-[2,4-Dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
title_sort n-[2,4-dioxo-3-aza­tricyclo­[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379385/
https://www.ncbi.nlm.nih.gov/pubmed/22719583
http://dx.doi.org/10.1107/S1600536812021812
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