Andrade L C R, de Almeida M J M, Fernandes Roleira F M, Varela C L, Tavares da Silva E J
CEMDRX, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, P-3004-516 Coimbra, Portugal.
Acta Crystallogr C. 2008 Sep;64(Pt 9):o508-10. doi: 10.1107/S0108270108023299. Epub 2008 Aug 13.
The title compound, C(19)H(29)NO, is a C17-oxime derivative of a potent aromatase inhibitor, which surprisingly has been found to have no inhibitory power. It crystallizes with two independent molecules in the asymmetric unit. C=N-O-H...N hydrogen bonds link pairs of molecules to form dimers almost parallel to the bc plane. Cohesion of the structure is also due to another three C-H...O hydrogen bonds directed along the a axis. This hydrogen-bonding scheme can be correlated to the almost complete loss of inhibitory power of the title compound.
标题化合物C(19)H(29)NO是一种强效芳香酶抑制剂的C17肟衍生物，令人惊讶的是，它被发现没有抑制能力。它在不对称单元中与两个独立的分子结晶。C=N-O-H...N氢键将分子对连接起来形成几乎平行于bc平面的二聚体。结构的内聚力还归因于沿着a轴方向的另外三个C-H...O氢键。这种氢键模式与标题化合物抑制能力的几乎完全丧失相关。
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