A monoclinic polymorph of 1-benzoyl-4-thio­biuret

The title compound, C(9)H(9)N(3)O(2)S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013 ▶). Acta Cryst. E69, o1327]. The mol­ecule is almost planar with an r.m.s. deviation of 0.069 Å from the mean plane of all non-H atoms. The benzoyl and terminal thio­ure...

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Detalles Bibliográficos
Autores principales: Kim, Namhun, Kim, Haneol, Kang, Sung Kwon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885036/
https://www.ncbi.nlm.nih.gov/pubmed/24454211
http://dx.doi.org/10.1107/S1600536813030250
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author Kim, Namhun
Kim, Haneol
Kang, Sung Kwon
author_facet Kim, Namhun
Kim, Haneol
Kang, Sung Kwon
author_sort Kim, Namhun
collection PubMed
description The title compound, C(9)H(9)N(3)O(2)S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013 ▶). Acta Cryst. E69, o1327]. The mol­ecule is almost planar with an r.m.s. deviation of 0.069 Å from the mean plane of all non-H atoms. The benzoyl and terminal thio­urea fragments adopt a transoid conformation with respect to the central carbonyl O atom. Two intra­molecular N—H⋯O hydrogen bonds are present. In the crystal, N—H⋯O and N—H⋯S inter­actions link the mol­ecules into zigzag chains extending along the c-axis direction.
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spelling pubmed-38850362014-01-17 A monoclinic polymorph of 1-benzoyl-4-thio­biuret Kim, Namhun Kim, Haneol Kang, Sung Kwon Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(9)N(3)O(2)S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013 ▶). Acta Cryst. E69, o1327]. The mol­ecule is almost planar with an r.m.s. deviation of 0.069 Å from the mean plane of all non-H atoms. The benzoyl and terminal thio­urea fragments adopt a transoid conformation with respect to the central carbonyl O atom. Two intra­molecular N—H⋯O hydrogen bonds are present. In the crystal, N—H⋯O and N—H⋯S inter­actions link the mol­ecules into zigzag chains extending along the c-axis direction. International Union of Crystallography 2013-11-13 /pmc/articles/PMC3885036/ /pubmed/24454211 http://dx.doi.org/10.1107/S1600536813030250 Text en © Kim et al. 2013 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
Kim, Namhun
Kim, Haneol
Kang, Sung Kwon
A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title_full A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title_fullStr A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title_full_unstemmed A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title_short A monoclinic polymorph of 1-benzoyl-4-thio­biuret
title_sort monoclinic polymorph of 1-benzoyl-4-thio­biuret
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885036/
https://www.ncbi.nlm.nih.gov/pubmed/24454211
http://dx.doi.org/10.1107/S1600536813030250
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