Rahman Md Lutfor, Srinivasa H T, Mohd Yusoff Mashitah, Kwong Huey Chong, Quah Ching Kheng
University Malaysia Pahang, Faculty of Industrial Sciences and Technology, 26300 Gambang, Kuantan, Pahang, Malaysia.
Raman Research Institute, C.V. Raman Avenue, Sadashivanagar, Bangalore 560 080, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o696-7. doi: 10.1107/S1600536814010642. eCollection 2014 Jun 1.
The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H⋯O hydrogen bonds. Adjacent dimers are further inter-connected by C-H⋯O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H⋯π inter-actions.
标题化合物C17H18O3的不对称单元包含三个具有相似几何形状的独立分子。在每个分子中，羰基与萘环体系扭转，二面角分别为1.0（2）、1.05（19）°和1.5（2）°。所有三个分子中的丁烯基团在两组位置上无序，精制占有率比为0.664（6）:0.336（6）。在晶体中，分子相对于其羰基定向，通过O-H⋯O氢键形成头对头二聚体。相邻的二聚体通过C-H⋯O氢键进一步相互连接成沿a轴方向的链。晶体结构通过弱C-H⋯π相互作用进一步稳定。
