Barot Vijay M, Jotani Mukesh M, Maheta Jeshal G
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2582-3. doi: 10.1107/S1600536812033430. Epub 2012 Jul 28.
The title co-crystal, 0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3), arises as the chloride carried over during the synthesis shares a position with an aromatic H atom; the partial occupancies are 0.947 (2) and 0.053 (2) for H and Cl, respectively. The mol-ecular structure is stabilized by intra-molecular C-H⋯O contacts, forming pseudo five- and six-membered rings with S(5) and S(6) graph-set motifs, respectively. The crystal structure features π-π stacking inter-actions between the centroids of the central fused ring systems [centroid-centroid distance = 3.501 (2) Å].
标题共晶体0.95C(20)H(20)O(3)·0.05C(20)H(19)ClO(3)是由于合成过程中残留的氯与一个芳香族氢原子占据同一位置而产生的;氢和氯的部分占有率分别为0.947 (2)和0.053 (2)。分子结构通过分子内C-H⋯O接触得以稳定,分别形成具有S(5)和S(6)图形集 motif的伪五元环和六元环。晶体结构的特征是中心稠合环系统的质心之间存在π-π堆积相互作用[质心-质心距离 = 3.501 (2) Å]。