TY - JOUR
T1 - 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
AU - Roberts, Sue A.
AU - Martinez-Ariza, Guillermo
AU - Hulme, Christopher
AU - Lough, A. J.
PY - 2015/2/1
Y1 - 2015/2/1
N2 - 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).
AB - 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).
KW - Butenolides
KW - Crystal structure
KW - N - H⋯O hydrogen bonding
KW - Pharmaceuticals
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U2 - 10.1107/S2056989015000936
DO - 10.1107/S2056989015000936
M3 - Article
AN - SCOPUS:84928104397
VL - 71
SP - 199
EP - 202
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 2
ER -