Suppr超能文献

9-(2,4-二氟苯基)-3,3,6,6-四甲基-3,4,5,6,7,9-六氢-2H-占吨-1,8-二酮

9-(2,4-Di-fluoro-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

作者信息

Rizwana Begum S, Hema R, Sumathi G, Valliappan R, Srinivasan N

机构信息

Department of Physics, Seethalakshmi Ramaswami College (Autonomous), Tiruchirappalli 620 002, India.

Department of Physics, K. Ramakrishnan College of Engineering, Samayapuram, Tiruchirappalli 621 112, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 12;70(Pt 3):o276-7. doi: 10.1107/S1600536814002761. eCollection 2014 Mar 1.

Abstract

In the title compound, C23H24F2O3, the central pyran ring has a flat-boat conformation, whereas the two fused cyclo-hexenone rings adopt envelope conformations, with the C atom bearing the dimethyl substituent being the flap atom in each case. The pyran ring mean plane and the di-fluoro-phenyl ring are almost normal to each other, making a dihedral angle of 87.55 (4)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The F atom at position 2 on the di-fluoro-phenyl ring is disordered over the 2- and 6-positions, and has a refined occupancy ratio of 0.932 (3):0.068 (3).

摘要

在标题化合物C₂₃H₂₄F₂O₃中,中心吡喃环呈平船构象,而两个稠合的环己烯酮环采取信封构象,在每种情况下,带有二甲基取代基的C原子为折叶原子。吡喃环平均平面与二氟苯环几乎相互垂直,二面角为87.55 (4)°。在晶体中,分子通过成对的C—H⋯O氢键相连,形成具有R 2 (2)(8)环 motif的反演二聚体。二氟苯环上2位的F原子在2位和6位上无序,其精修占有率为0.932 (3):0.068 (3)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/246f/3998450/c128893d3dc7/e-70-0o276-fig1.jpg

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验