Abstract
The asymmetric unit of the title compound, C 19H 11F 3N 2O 2, contains two crystallographically unique mol-ecules which differ in the rotation of a phenyl ring and a -CF3 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 CF3 groups with respect to the pyrrolo rings to which they are attached is 23.5(1)°. For one mol-ecule, there is a close contact between an H atom and the centroid of the phenyl ring of an adjacent mol-ecule (2.572 Å). A similar contact is lacking in the second mol-ecule. In the crystal, N - H⋯O inter-actions connect adjacent mol-ecules into a chain normal to (01 ). Crystallographically unique mol-ecules alternate along the hydrogen-bonded chains.
Original language | English (US) |
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Pages (from-to) | o496-o497 |
Journal | Acta Crystallographica Section E: Structure Reports Online |
Volume | 68 |
Issue number | 2 |
DOIs | |
State | Published - Feb 2012 |
Keywords
- R factor = 0.036
- T = 100 K
- data-to-parameter ratio = 14.2
- mean σ(C-C) = 0.002 Å
- single-crystal X-ray study
- wR factor = 0.089
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics
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Dive into the research topics of '2,4-Diphenyl-6-trifluoromethyl-2,3-dihydro-1H,5H-pyrrolo-[3,4-c]pyrrole-1, 3-dione'. Together they form a unique fingerprint.Datasets
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CCDC 868206: Experimental Crystal Structure Determination
Roberts, S. A. (Creator), Martinez-Ariza, G. (Creator), Dietrich, J. (Creator) & Hulme, C. (Creator), Cambridge Crystallographic Data Centre, 2012
DOI: 10.5517/ccy4fn4, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccy4fn4&sid=DataCite
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