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A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea

The title compound, C(13)H(2)F(10)N(2)O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ▶). Acta Cryst. C53, 455–457]. The current P2(1)2(1)2(1) polymorph was obtained from a tetra­hydro­furan solution. The penta­fluoro­phenyl rings make dihedral angles of...

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Autor principal: Okuno, Tsunehisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629646/
https://www.ncbi.nlm.nih.gov/pubmed/23634133
http://dx.doi.org/10.1107/S1600536813007836
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author Okuno, Tsunehisa
author_facet Okuno, Tsunehisa
author_sort Okuno, Tsunehisa
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description The title compound, C(13)H(2)F(10)N(2)O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ▶). Acta Cryst. C53, 455–457]. The current P2(1)2(1)2(1) polymorph was obtained from a tetra­hydro­furan solution. The penta­fluoro­phenyl rings make dihedral angles of 50.35 (6) and 54.94 (6)° with the urea fragment, in close accord with those reported for the first polymorph. In the crystal, both of the N—H groups donate H atoms to the same carbonyl O atom, forming a one-dimensional mol­ecular array along the a axis. There are close contacts between perfluoro­phenyl C atoms within the array [3.228 (3) Å] and halogen bonds are also observed between the arrays [F⋯F = 2.709 (2) and 2.7323 (18) Å].
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spelling pubmed-36296462013-04-30 A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea Okuno, Tsunehisa Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(2)F(10)N(2)O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ▶). Acta Cryst. C53, 455–457]. The current P2(1)2(1)2(1) polymorph was obtained from a tetra­hydro­furan solution. The penta­fluoro­phenyl rings make dihedral angles of 50.35 (6) and 54.94 (6)° with the urea fragment, in close accord with those reported for the first polymorph. In the crystal, both of the N—H groups donate H atoms to the same carbonyl O atom, forming a one-dimensional mol­ecular array along the a axis. There are close contacts between perfluoro­phenyl C atoms within the array [3.228 (3) Å] and halogen bonds are also observed between the arrays [F⋯F = 2.709 (2) and 2.7323 (18) Å]. International Union of Crystallography 2013-03-28 /pmc/articles/PMC3629646/ /pubmed/23634133 http://dx.doi.org/10.1107/S1600536813007836 Text en © Tsunehisa Okuno 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
Okuno, Tsunehisa
A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title_full A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title_fullStr A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title_full_unstemmed A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title_short A new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
title_sort new polymorph of 1,3-bis­(penta­fluoro­phen­yl)urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629646/
https://www.ncbi.nlm.nih.gov/pubmed/23634133
http://dx.doi.org/10.1107/S1600536813007836
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