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野菊花内脂(Chrysanthelide)晶体属单斜晶系,空间群P2_1,晶胞参数为a=1.1997(3),b=1.1359(2),c=0.9838(1)nm;β=102.22(2)°;V=1.31026nm~3;Z=2.由直接法、差值傅立叶合成及理论加氢得出全部原子的位置.经全矩阵最小二乘法修正,最终的R=0.030.结构测定表明,野菊花内脂的分子是由相似的两部分通过桥环联结而成,每部分均为具有内脂环的倍半萜,这两部分彼此近乎垂直.除分子内氢键外,分子间也存在氢键,通过这些氢键与分子间范德华力形成稳定的晶体.
The crystal of Chrysanthelide is monoclinic with a space group of P2_1 with a = 1.1997 (3), b = 1.1359 (2), c = 0.9838 (1) nm and β = 102.22 (2) °, V = 1.31026nm ~ 3 and Z = 2. The positions of all the atoms were obtained by direct method, differential Fourier synthesis and theoretical hydrogenation.The final R = The molecules of Chrysanthemum lactone are linked by a similar two-membered bridged ring, each of which is a sesquiterpenoid with an alicyclic ring, the two are nearly perpendicular to each other. In addition to the intramolecular hydrogen bonds, intermolecular also exists Hydrogen bonds, through these hydrogen bonds and intermolecular van der Waals forces form a stable crystal.