Zukerman-Schpector J, Caracelli I, Vega M, Constantino M G, Beatriz A, da Silva G V
Instituto de Química, Universidade de São Paulo, São Paulo, SP, Brazil.
Acta Crystallogr C. 2001 May;57(Pt 5):646-8. doi: 10.1107/s0108270101003365. Epub 2001 May 15.
In both 9,10-dimethoxy-11-oxatricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-diol, C(12)H(16)O(5), (I), and 5,6-dimethoxy-3,7-dioxatetracyclo[6.4.0.0(2,6).0(4,12)]dodec-9-en-11-ol, C(12)H(16)O(5), (II), the hetero-oxygen-containing five-membered rings have an envelope conformation. The six-membered rings are in a boat conformation in compound (I), and in (II), one is in a half-boat and the other is in a slightly distorted boat conformation. The molecules in both compounds interact through classical hydrogen bonds and C-H.O contacts.
在9,10 - 二甲氧基 - 11 - 氧杂三环[6.2.1.0(2,7)]十一碳 - 4,9 - 二烯 - 3,6 - 二醇(C₁₂H₁₆O₅,(I))和5,6 - 二甲氧基 - 3,7 - 二氧杂四环[6.4.0.0(2,6).0(4,12)]十二碳 - 9 - 烯 - 11 - 醇(C₁₂H₁₆O₅,(II))中,含杂原子氧的五元环具有信封式构象。在化合物(I)中,六元环呈船式构象,而在(II)中,一个六元环呈半船式,另一个呈轻微扭曲的船式构象。两种化合物中的分子通过经典氢键和C - H···O接触相互作用。