Maharramov Abel M, Ismiyev Arif I, Rashidov Bahruz A, Aliyev Ilkin V
Baku State University, Z. Khalilov St 23, Baku, AZ-1148, Azerbaijan.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1127. doi: 10.1107/S1600536811013195. Epub 2011 Apr 13.
The title compound, C(17)H(20)N(2)O(2), is chiral but crystallizes in a centrosymmetric space group as a racemate, the relative configuration at the stereogenic centres being 2S*,3R*,4S*. The cyclo-hexane ring adopts a half-chair conformation while the pyrazole ring has an envelope conformation. The crystal packing displays inter-molecular O-H⋯N and N-H⋯O hydrogen bonding.
标题化合物C(17)H(20)N(2)O(2)是手性的,但作为外消旋体结晶于一个中心对称空间群中,手性中心的相对构型为2S*,3R*,4S*。环己烷环采取半椅式构象,而吡唑环具有信封式构象。晶体堆积呈现分子间的O-H⋯N和N-H⋯O氢键。