1-{[5-(4-氯苯基)-1-(4-氟苯基)-1H-吡唑-3-基]羰基}哌啶-4-酮
1-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl]}piperidin-4-one.
作者信息
Shahani Tara, Fun Hoong-Kun, Ragavan R Venkat, Vijayakumar V, Venkatesh M
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3233-4. doi: 10.1107/S1600536810047215.
In the title compound, C(21)H(17)ClFN(3)O(2), the 1H-pyrazole ring makes dihedral angles of 36.73 (7), 18.73 (7) and 60.88 (8)°, respectively, with the mean planes of the chloro-phenyl, 4-oxo-piperidine and fluoro-phenyl rings. The mol-ecular structure is stabilized by an intra-molecular C-H⋯N hydrogen bond, which forms an S(6) ring motif. In the crystal, inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains along [101]. In addition, inter-molecular C-H⋯F hydrogen bonds with an R(2) (1)(7) ring motif connect neighbouring chains into layers parallel to the ac plane.
在标题化合物C₂₁H₁₇ClFN₃O₂中，1H-吡唑环与氯苯环、4-氧代哌啶环和氟苯环的平均平面分别形成36.73 (7)°、18.73 (7)°和60.88 (8)°的二面角。分子结构通过分子内C—H⋯N氢键得以稳定，该氢键形成一个S(6)环模式。在晶体中，分子间C—H⋯O氢键将分子沿[101]方向连接成链。此外，具有R₂²(1)(7)环模式的分子间C—H⋯F氢键将相邻的链连接成平行于ac平面的层。
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