Asad Mohammad, Oo Chuan-Wei, Osman Hasnah, Rosli Mohd Mustaqim, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1037-8. doi: 10.1107/S1600536811011676. Epub 2011 Apr 7.
The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733 (12):0.1267 (12). The dihedral angle between the mean planes through the chromene ring systems is 56.31 (5) and 55.2 (3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H⋯O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H⋯O inter-actions, forming chains along the b axis. The structure is further stabilized by π-π inter-actions with centroid-centroid distances of 3.594 (2) and 3.608 (5) Å.
标题化合物C(23)H(14)O(6)S的整个分子在两组位置上无序,精修占有率为0.8733 (12):0.1267 (12)。对于主要和次要组分,通过色烯环系统的平均平面之间的二面角分别为56.31 (5)°和55.2 (3)°。在两个组分中,一对分子内O-H⋯O相互作用形成S(8)图集 motif的环。在晶体中,分子通过分子间C-H⋯O相互作用连接,沿b轴形成链。结构通过质心-质心距离为3.594 (2)和3.608 (5) Å的π-π相互作用进一步稳定。