首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >4-Hy­droxy-3-(4-hy­droxy-6-methyl-2-oxo-36-dihydro-2H-pyran-3-yl)(3-thien­yl)meth­yl-6-methyl-36-dihydro-2H-pyran-2-one
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4-Hy­droxy-3-(4-hy­droxy-6-methyl-2-oxo-36-dihydro-2H-pyran-3-yl)(3-thien­yl)meth­yl-6-methyl-36-dihydro-2H-pyran-2-one

机译:4-羟基-3-(4-羟基-6-甲基-2-氧代-36-二氢-2H-吡喃-3-基)(3-噻吩基)甲基 -6-甲基-36-二氢-2H-吡喃-2-酮

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摘要

The asymmetric unit of the title compound, C17H14O6S, contains four crystallographically independent mol­ecules in which the pyran­one units are essentially planar, with maximum deviations of 0.016 (2), 0.019 (2), 0.025 (2), 0.014 (2), 0.020 (2), 0.010 (2), 0.003 (2) and 0.012 (2) Å. One of the thio­phene rings is disordered over two positions, with an occupancy ratio of 0.739 (4):0.261 (4). The dihedral angles between the two pyran­one rings in the independent mol­ecules are 59.42 (8), 48.67 (8), 60.62 (9) and 51.60 (8)°. In the crystal, mol­ecules are linked through inter­molecular O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network.
机译:标题化合物C17H14O6S的不对称单元包含四个晶体学独立的分子,其中吡喃酮单元基本为平面,最大偏差为0.016(2),0.019(2),0.025(2),0.014(2),0.020( 2),0.010(2),0.003(2)和0.012(2)Å。噻吩环之一在两个位置上无序,占有率为0.739(4):0.261(4)。独立分子中两个吡喃酮环之间的二面角为59.42(8),48.67(8),60.62(9)和51.60(8)°。在晶体中,分子通过分子间的O-H⋯O和C-H⋯O氢键连接,形成三维网络。

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