1-(Thio­phen-2-yl)ethanone thio­semi­carbazone

The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol­ecules in the unit cell, both present as thio­semicarbazide tautomers. The mol­ecules differ principally in the dihedral angles between the thio­phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio­a...

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Autores principales: Gaye, Papa Aly, Sy, Adama, Sarr, Aminata Diassé, Gaye, Mohamed, Besnard, Celine
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089127/
https://www.ncbi.nlm.nih.gov/pubmed/21754474
http://dx.doi.org/10.1107/S1600536811011986
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author Gaye, Papa Aly
Sy, Adama
Sarr, Aminata Diassé
Gaye, Mohamed
Besnard, Celine
author_facet Gaye, Papa Aly
Sy, Adama
Sarr, Aminata Diassé
Gaye, Mohamed
Besnard, Celine
author_sort Gaye, Papa Aly
collection PubMed
description The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol­ecules in the unit cell, both present as thio­semicarbazide tautomers. The mol­ecules differ principally in the dihedral angles between the thio­phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio­amide units, viz. 9.80 (8)° for one mol­ecule and 19.37 (7)° for the other. The hydrazinecarbothio­amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol­ecules. In the crystal, N—H⋯S hydrogen bonds link like mol­ecules into R (2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N—H⋯S hydrogen bonds and weak C—H⋯S contacts between the unique mol­ecules.
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spelling pubmed-30891272011-07-13 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone Gaye, Papa Aly Sy, Adama Sarr, Aminata Diassé Gaye, Mohamed Besnard, Celine Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol­ecules in the unit cell, both present as thio­semicarbazide tautomers. The mol­ecules differ principally in the dihedral angles between the thio­phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio­amide units, viz. 9.80 (8)° for one mol­ecule and 19.37 (7)° for the other. The hydrazinecarbothio­amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol­ecules. In the crystal, N—H⋯S hydrogen bonds link like mol­ecules into R (2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N—H⋯S hydrogen bonds and weak C—H⋯S contacts between the unique mol­ecules. International Union of Crystallography 2011-04-16 /pmc/articles/PMC3089127/ /pubmed/21754474 http://dx.doi.org/10.1107/S1600536811011986 Text en © Gaye 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
Gaye, Papa Aly
Sy, Adama
Sarr, Aminata Diassé
Gaye, Mohamed
Besnard, Celine
1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title_full 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title_fullStr 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title_full_unstemmed 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title_short 1-(Thio­phen-2-yl)ethanone thio­semi­carbazone
title_sort 1-(thio­phen-2-yl)ethanone thio­semi­carbazone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089127/
https://www.ncbi.nlm.nih.gov/pubmed/21754474
http://dx.doi.org/10.1107/S1600536811011986
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AT gayemohamed 1thiophen2ylethanonethiosemicarbazone
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