Abstract
The title compounds, C22H19F4NO4, (I), and C25H22F3NO5, (II), each contain a central nearly planar dihydrofuranone ring. The r.m.s. deviation from planarity of these rings is 0.015 Å in (I) and 0.027 Å in (II). The molecules are T-shaped, with the major conformational difference being the O - C - C - O torsion angle [-178.9 (1) in (I) and 37.7 (2)° in (II)]. In the crystal of (I), molecules are linked by N - H⋯O hydrogen bonds, forming chains along [001] while in (II) molecules are linked by N - H⋯O hydrogen bonds, forming chains along [010]. In (II), the trifluoromethyl substituent is disordered over two sets of sites, with refined occupancies of 0.751 (3) and 0.249 (3).
Original language | English (US) |
---|---|
Pages (from-to) | 199-202 |
Number of pages | 4 |
Journal | Acta Crystallographica Section E: Structure Reports Online |
Volume | 71 |
Issue number | 2 |
DOIs | |
State | Published - Feb 1 2015 |
Keywords
- Butenolides
- Crystal structure
- N - H⋯O hydrogen bonding
- Pharmaceuticals
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics
Fingerprint
Dive into the research topics of 'Crystal structures of N-tert-butyl-3-(4-fluoro-phenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2H-1,3-benzo-dioxol-5-yl)-N-cyclohexyl-5-oxo-3-[4-(trifluoro-methyl)phenyl]-2,5-dihydrofuran-2-carboxamide'. Together they form a unique fingerprint.Datasets
-
CCDC 1043839: Experimental Crystal Structure Determination
Roberts, S. A. (Creator), Martinez-Ariza, G. (Creator) & Hulme, C. (Creator), Cambridge Crystallographic Data Centre, 2015
DOI: 10.5517/cc14167m, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14167m&sid=DataCite
Dataset
-
CCDC 1043838: Experimental Crystal Structure Determination
Roberts, S. A. (Creator), Martinez-Ariza, G. (Creator) & Hulme, C. (Creator), Cambridge Crystallographic Data Centre, 2015
DOI: 10.5517/cc14166l, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14166l&sid=DataCite
Dataset