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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2013
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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 |
collection | PubMed |
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]. |
format | Online Article Text |
id | pubmed-3629646 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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