アセトアミノフェン

アセトアミノフェン

by 孝昌 野中 -
Number of replies: 0

\tdplotsetmaincoords{-120}{-50}\begin{tikzpicture}[scale=1,tdplot_main_coords,rotate=-30,declare function = {opc=0.9;CCDC=129925;_cell_length_a = 7.0939;_cell_length_b = 9.2625;_cell_length_c = 11.657;_cell_angle_alpha = 90.00;_cell_angle_beta = 97.672;_cell_angle_gamma = 90.00;sg=P21/n;Cvdw=1.70 cm; Nvdw=1.55 cm; Ovdw=1.52 cm; Hvdw=1.20 cm; Bvdw=1.92 cm; Clvdw=1.75 cm; Fvdw=1.47 cm;vdw=1/5; lw=3;}]\coordinate (C1) at (0.753, 7.682, 1.498);\coordinate (N1) at (0.623, 5.121, -1.847);\coordinate (O1) at (0.823, 8.532, 2.578);\coordinate (C2) at (-0.344, 7.667, 0.635);\coordinate (O2) at (2.803, 4.597, -2.211);\coordinate (C3) at (-0.354, 6.813, -0.455);\coordinate (C4) at (0.725, 5.963, -0.709);\coordinate (C5) at (1.808, 5.962, 0.173);\coordinate (C6) at (1.816, 6.819, 1.265);\coordinate (C7) at (1.613, 4.522, -2.535);\coordinate (C8) at (1.166, 3.726, -3.736);\coordinate (H2) at (-1.096, 8.250, 0.797);\coordinate (H3) at (-1.127, 6.803, -1.056);\coordinate (H5) at (2.526, 5.386, 0.028);\coordinate (H6) at (2.567, 6.814, 1.869);\coordinate (H1') at (-0.010, 8.867, 2.789);\coordinate (H2') at (-0.222, 5.034, -2.211);\coordinate (H8A) at (0.291, 3.975, -3.969);\coordinate (H8B) at (1.186, 2.810, -3.529);\coordinate (H8C) at (1.743, 3.897, -4.457);\foreach \labelx /\labely in {O1/H1', N1/H2', C2/H2, C3/H3, C5/H5, C6/H6, C8/H8A, C8/H8B, C8/H8C}\draw[line width = lw, Pink1] (\labelx) -- (\labely);\draw[line width = lw, green] (C1) -- (C2) -- (C3) -- (C4) -- (C5) -- (C6) -- (C1);\draw[line width = lw, green] (N1) -- (C7) -- (O2);\draw[line width = lw, green] (C1) -- (O1);\foreach \labelx /\labely in {C4/N1, C7/C8}\draw[line width = lw, gray] (\labelx) -- (\labely);\foreach \label in {H1', H2', H2, H3, H5, H6, H8A, H8B, H8C}\shade[ball color = white, opacity=opc] (\label) circle (vdw*Hvdw);\foreach \label in {C1, C2, C3, C4, C5, C6, C7, C8}\shade[ball color = black, opacity=opc] (\label) circle (vdw*Cvdw);\foreach \label in {N1}\shade[ball color = blue, opacity=opc] (\label) circle (vdw*Nvdw);\foreach \label in {O1, O2}\shade[ball color = red, opacity=opc] (\label) circle (vdw*Ovdw);\shade[ball color = white, opacity=1] (H8C) circle (vdw*Hvdw);\end{tikzpicture}