Asad Mohammad, Oo Chuan-Wei, Osman Hasnah, Hemamalini Madhukar, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 26;67(Pt 2):o494-5. doi: 10.1107/S1600536811002716.
The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent mol-ecules in which the pyran-one 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 thio-phene rings is disordered over two positions, with an occupancy ratio of 0.739 (4):0.261 (4). The dihedral angles between the two pyran-one rings in the independent mol-ecules are 59.42 (8), 48.67 (8), 60.62 (9) and 51.60 (8)°. In the crystal, mol-ecules are linked through inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.
标题化合物C(17)H(14)O(6)S的不对称单元包含四个晶体学独立分子,其中吡喃酮单元基本呈平面状,最大偏差分别为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。其中一个噻吩环在两个位置上无序,占有率比为0.739(4):0.261(4)。独立分子中两个吡喃酮环之间的二面角分别为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氢键相连,形成三维网络。