Tinţaş Mihaela-Liliana, Varga Richard A, Grosu Ion, Bogdan Elena
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o310-1. doi: 10.1107/S1600536811055279. Epub 2012 Jan 11.
The title compound, C(21)H(17)ClO(3), which crystallizes as one of two possible oxo/hy-droxy-fulvene prototropic tautomers, possesses a strong intra-molecular O-H⋯O hydrogen bond that closes a seven-membered ring. The dihedral angles between the central five-membered ring and two pendant rings are 55.05 (9) and 44.51 (10)°. The crystal packing is characterized by weak inter-molecular C-H⋯O inter-actions between an H atom of the oxymethyl-ene unit and the carbonyl group of an adjacent mol-ecule, resulting in formation of chains of mol-ecules along the a axis.
标题化合物C(21)H(17)ClO(3)以两种可能的氧代/羟基富烯质子互变异构体之一的形式结晶,具有一个强的分子内O-H⋯O氢键,该氢键形成一个七元环。中心五元环与两个侧环之间的二面角分别为55.05 (9)°和44.51 (10)°。晶体堆积的特征是羟亚甲基单元的一个H原子与相邻分子的羰基之间存在弱的分子间C-H⋯O相互作用,导致分子沿a轴形成链状结构。