Rizwana Begum S, Hema R, Sumathi G, Valliappan R, Srinivasan N
Department of Physics, Seethalakshmi Ramaswami College (Autonomous), Tiruchirappalli 620 002, India.
Department of Physics, K. Ramakrishnan College of Engineering, Samayapuram, Tiruchirappalli 621 112, India.
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 12;70(Pt 3):o276-7. doi: 10.1107/S1600536814002761. eCollection 2014 Mar 1.
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).
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)。