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2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione
The asymmetric unit of the title compound, C(19)H(11)F(3)N(2)O(2), contains two crystallographically unique molecules which differ in the rotation of a phenyl ring and a –CF(3) substituent. The dihedral angles involving the pyrrole ring and the attached phenyl ring are 62.82 (8) and 71.54 (7)° in t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275242/ https://www.ncbi.nlm.nih.gov/pubmed/22347098 http://dx.doi.org/10.1107/S1600536812001675 |
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author | Roberts, Sue A. Martinez-Ariza, Guillermo Dietrich, Justin Hulme, Christopher |
author_facet | Roberts, Sue A. Martinez-Ariza, Guillermo Dietrich, Justin Hulme, Christopher |
author_sort | Roberts, Sue A. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(19)H(11)F(3)N(2)O(2), contains two crystallographically unique molecules which differ in the rotation of a phenyl ring and a –CF(3) substituent. The dihedral angles involving the pyrrole ring and the attached phenyl ring are 62.82 (8) and 71.54 (7)° in the two molecules. The difference in the rotation of the CF(3) groups with respect to the pyrrolo rings to which they are attached is 23.5(1)°. For one molecule, there is a close contact between an H atom and the centroid of the phenyl ring of an adjacent molecule (2.572 Å). A similar contact is lacking in the second molecule. In the crystal, N—H⋯O interactions connect adjacent molecules into a chain normal to (01[Image: see text]). Crystallographically unique molecules alternate along the hydrogen-bonded chains. |
format | Online Article Text |
id | pubmed-3275242 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32752422012-02-15 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione Roberts, Sue A. Martinez-Ariza, Guillermo Dietrich, Justin Hulme, Christopher Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(11)F(3)N(2)O(2), contains two crystallographically unique molecules which differ in the rotation of a phenyl ring and a –CF(3) substituent. The dihedral angles involving the pyrrole ring and the attached phenyl ring are 62.82 (8) and 71.54 (7)° in the two molecules. The difference in the rotation of the CF(3) groups with respect to the pyrrolo rings to which they are attached is 23.5(1)°. For one molecule, there is a close contact between an H atom and the centroid of the phenyl ring of an adjacent molecule (2.572 Å). A similar contact is lacking in the second molecule. In the crystal, N—H⋯O interactions connect adjacent molecules into a chain normal to (01[Image: see text]). Crystallographically unique molecules alternate along the hydrogen-bonded chains. International Union of Crystallography 2012-01-21 /pmc/articles/PMC3275242/ /pubmed/22347098 http://dx.doi.org/10.1107/S1600536812001675 Text en © Roberts 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 Roberts, Sue A. Martinez-Ariza, Guillermo Dietrich, Justin Hulme, Christopher 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title | 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title_full | 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title_fullStr | 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title_full_unstemmed | 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title_short | 2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione |
title_sort | 2,4-diphenyl-6-trifluoromethyl-2,3-dihydro-1h,5h-pyrrolo[3,4-c]pyrrole-1,3-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275242/ https://www.ncbi.nlm.nih.gov/pubmed/22347098 http://dx.doi.org/10.1107/S1600536812001675 |
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