首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide
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Crystal structures of N-tert-butyl-3-(4-fluoro­phenyl)-5-oxo-4-[2-(tri­fluoro­meth­oxy)phen­yl]-2,5-di­hydro­furan-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclo­hexyl-5-oxo-3-[4-(tri­fluoro­meth­yl)phen­yl]-2,5-di­hydro­furan-2-carboxamide

机译:N-叔丁基-3-(4-氟苯基)-5-氧代-4- [2-(三氟甲氧基)苯基] -2,5-二氢呋喃-2-羧酰胺和4-(2H-1,3)的晶体结构-苯并二氧杂-5-基)-N-环己基-5-氧-3- [4-(三氟甲基)苯基] -2,5-二氢呋喃-2-羧酰胺

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摘要

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).
机译:标题化合物C22H19F4NO4(I)和C25H22F3NO5(II)每个都包含一个中心的近乎平面的二氢呋喃酮环。 r.m.s.这些环的平面度偏差在(I)中为0.015?Å,在(II)中为0.027?Å。分子为T形,主要构象差为OC-C-O扭转角[(I)中为-178.9(1),(II)中为37.7(2)°]。在(I)的晶体中,分子通过NH 3氢键连接,沿着[001]形成链,而在(II)的晶体中,分子通过NH 3氢键连接,沿着[010]形成链。在(II)中,三氟甲基取代基在两组位点上是无序的,精细占比为0.751(3)和0.249(3)。

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