1-(2,4-Difluoro­phen­yl)thio­urea

The asymmetric unit of the title compound, C(7)H(6)F(2)N(2)S, consists of two independent mol­ecules, with comparable geometries. In one mol­ecule, the thio­urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The correspon...

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Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Nayak, Prakash S., Narayana, B., Sarojini, B. K.
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/PMC3414916/
https://www.ncbi.nlm.nih.gov/pubmed/22904903
http://dx.doi.org/10.1107/S1600536812031625
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author Fun, Hoong-Kun
Quah, Ching Kheng
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(7)H(6)F(2)N(2)S, consists of two independent mol­ecules, with comparable geometries. In one mol­ecule, the thio­urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other mol­ecule are 0.011 Å and 81.71 (8)°, respectively. In both mol­ecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, mol­ecules are linked via N—H⋯S and C—H⋯F hydrogen bonds into two-dimensional networks parallel to (010).
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spelling pubmed-34149162012-08-17 1-(2,4-Difluoro­phen­yl)thio­urea Fun, Hoong-Kun Quah, Ching Kheng Nayak, Prakash S. Narayana, B. Sarojini, B. K. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(7)H(6)F(2)N(2)S, consists of two independent mol­ecules, with comparable geometries. In one mol­ecule, the thio­urea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other mol­ecule are 0.011 Å and 81.71 (8)°, respectively. In both mol­ecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, mol­ecules are linked via N—H⋯S and C—H⋯F hydrogen bonds into two-dimensional networks parallel to (010). International Union of Crystallography 2012-07-18 /pmc/articles/PMC3414916/ /pubmed/22904903 http://dx.doi.org/10.1107/S1600536812031625 Text en © Fun 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
Fun, Hoong-Kun
Quah, Ching Kheng
Nayak, Prakash S.
Narayana, B.
Sarojini, B. K.
1-(2,4-Difluoro­phen­yl)thio­urea
title 1-(2,4-Difluoro­phen­yl)thio­urea
title_full 1-(2,4-Difluoro­phen­yl)thio­urea
title_fullStr 1-(2,4-Difluoro­phen­yl)thio­urea
title_full_unstemmed 1-(2,4-Difluoro­phen­yl)thio­urea
title_short 1-(2,4-Difluoro­phen­yl)thio­urea
title_sort 1-(2,4-difluoro­phen­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414916/
https://www.ncbi.nlm.nih.gov/pubmed/22904903
http://dx.doi.org/10.1107/S1600536812031625
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AT sarojinibk 124difluorophenylthiourea

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