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Refinement of the Crystal Structure of Aconitine
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作者 蒲小华 刘叶 +1 位作者 苟杏杏 李宗孝 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期605-608,共4页
The crystal of aconitine has been obtained through an unexpected spontaneous change of the solid power of aconitine in air and characterized by single-crystal X-ray diffraction analysis and elemental analysis. Crystal... The crystal of aconitine has been obtained through an unexpected spontaneous change of the solid power of aconitine in air and characterized by single-crystal X-ray diffraction analysis and elemental analysis. Crystallographic data: orthorhombic, space group P2_12_12_1 with a = 17.0745(6), b = 15.5990(6), c = 12.2443(6) ?, V = 3261.2(2) ?~3, Z = 4, C_(34)H_(47)NO_(11), M_r = 645.73, D_c = 1.315 g/cm^3, F(000) = 1384, μ(MoKa) = 0.098 mm^(-1), R = 0.0605 and wR = 0.1311. Aconitine is diester diterpenoid alkaloid, and its main structure is composed of four six-membered and two five-membered rings. The intramolecular and intermolecular O–H···O and C–H···O hydrogen bonds extend the adjacent molecules into a one-dimensional chain and a two-dimensional framework, which may be the essential reason for the change. 展开更多
关键词 aconitine spontaneous change crystal structure hydrogen bonds
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