Betz Richard, Gerber Thomas, Hosten Eric, Dayananda Alaloor S, Yathirajan Hemmige S, Thomas Saji
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2945-6. doi: 10.1107/S160053681104164X. Epub 2011 Oct 12.
The title compound (also known as 9-hy-droxy-risperidone), C(23)H(27)FN(4)O(3), is a heterocyclic compound with manifold pharmacological properties. The hy-droxy group shows disorder over two positions, with site-occupancy factors of 0.856 (2) and 0.144 (2). The piperidine ring adopts a chair conformation, while the annulated ring bearing the hy-droxy group is present in a half-chair conformation. Classical O-H⋯O hydrogen bonds as well as C-H⋯N contacts connect the mol-ecules into undulating sheets lying perpendicular to the crystallographic b axis. The shortest centroid-centroid distance between two centers of gravity is 3.5867 (8) Å and is apparent between the benzoxazole moiety and the six-membered ring bearing the keto substituent.
标题化合物（也称为9-羟基利培酮），化学式为C(23)H(27)FN(4)O(3)，是一种具有多种药理性质的杂环化合物。羟基在两个位置上呈现无序状态，占有率因子分别为0.856 (2) 和0.144 (2)。哌啶环呈椅式构象，而带有羟基的稠环则呈半椅式构象。经典的O-H⋯O氢键以及C-H⋯N接触将分子连接成垂直于晶体学b轴的起伏片状结构。两个重心之间最短的质心-质心距离为3.5867 (8) Å，在苯并恶唑部分和带有酮取代基的六元环之间明显可见。
