1-（1,3-苯并二氧杂环戊烯-5-基）戊-1-酮
1-(1,3-Benzodioxol-5-yl)pentan-1-one.
作者信息
Wang Xiao-Ming, Cheng Wei, Han Yu-Wang
机构信息
Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 20;65(Pt 1):o176. doi: 10.1107/S1600536808040257.
In the mol-ecule of title compound, C(12)H(14)O(3), the benzodioxole ring system is essentially planar. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains along the c axis, and π-π contacts between dioxole rings and between dioxole and benzene rings of the benzodioxole ring systems [centroid-centroid distances 3.702 (3) and 3.903 (3) Å] may further stabilize the structure. Two C-H⋯π inter-actions are also found.
在标题化合物C(12)H(14)O(3)的分子中，苯并二氧杂环系统基本呈平面状。在晶体结构中，弱的分子间C-H⋯O氢键将分子沿c轴连接成链，并且苯并二氧杂环系统的二氧杂环之间以及二氧杂环与苯环之间的π-π接触[质心-质心距离3.702 (3)和3.903 (3) Å]可能进一步稳定该结构。还发现了两种C-H⋯π相互作用。
Zotero 插件