1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone is an intermediate in the synthesis of the anticoagulant, Apixaban (Watson et al., Reference Watson, Whiteside and Perry2011; Jiang and Ji, Reference Jiang and Ji2013). The sample was prepared using 3-(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1H)-pyridinone and was recrystallized in methanol and dried. The sample was then ground into powder (HPLC ≥ 98%, ρ = 1.283 g cm−3, T melt = 180–182 °C) and mounted on a flat zero background plate. X-ray powder diffraction measurement was performed at room temperature using an X'Pert PRO diffractometer (PANalytical Co., Ltd., The Netherlands) with a PIXcel 1D detector and CuKα radiation (generator setting: 40 kV and 40 mA). The diffraction data were collected over the angular range from 4° to 50°2θ with a step size of 0.013 13°2θ and a counting time of 30 ms step−1. The software package Material Studio 8.0 (Accelrys Co., Ltd., CA, USA) was used to process the data in the Analytical & Testing Center (Sichuan University, China). The X-ray powder diffraction pattern was pre-treated by subtracting the background, smoothing, and stripping off the Kα 2 component. Automatic indexing results were obtained by X-Cell method (Neumann, Reference Neumann2003). The preliminary cell from indexing was refined using the Pawley method (Pawley, Reference Pawley1981). The refinement confirmed that the sample crystallizes in the monoclinic space group P21/c (14), with a = 14.877(4) Å, b = 5.893(6) Å, c = 18.984(3) Å, α = 90°, β = 122.298(3)°, γ = 90°, V = 1406.86 Å3, Z = 4, and ρ x = 1.290 g cm−3. Figure 1 shows the Powder X-ray diffraction pattern of the compound.
![](https://static.cambridge.org/binary/version/id/urn:cambridge.org:id:binary-alt:20170129060222-64328-mediumThumb-S088571561500072X_fig1g.jpg?pub-status=live)
Figure 1. Powder X-ray diffraction pattern of the compound.
ACKNOWLEDGEMENT
This work was supported by the Applied Basic Research Project of Sichuan Province (Grant no. 2014JY0042), the Testing Platform Construction of Technology Achievement Transform of Sichuan Province (Grant no. 13CGPT0049), and the National Development and Reform Commission and Education of China (Grant no. 2014BW011).
SUPPLEMENTARY MATERIALS AND METHODS
The supplementary material for this article, can be found at http://dx.doi.org/10.1017/S088571561500072X