Crystal structure of lansoprazole sulfone |
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Authors: | G Y S K Swamy K Ravikumar |
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Institution: | (1) Indian Institute of Chemical Technology, Laboratory of X-ray Crystallography, Hyderabad, 500 007, India |
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Abstract: | The structure of 2-({3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl} sulfonyl)-1H-1,3-benzimidazole, C16H14N3O3F3S, has been solved. The compound belongs to the monoclinic space group (P21/c) with cell parameters a = 8.8693(9) Å, b = 23.369(2) Å, c = 8.6141(8) Å, β = 104.68(1)°, V = 1727.2(3) Å3, Z = 4. The final R and wR(F 2) values were 0.070 and 0.147, respectively. The title molecule has a ‘Z’ shape in the crystal structure. The fused benzimidazole moiety and the pyridine ring are nearly coplanar. The molecules are linked by N-H…N and C-H…O hydrogen bonds into chains of edge-fused R 2 2 (14), R 2 2 R 2 2 (8), and R 2 2 (18) rings along the c-axis. The crystal lattice is further strengthened by π-π stacking interactions. |
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Keywords: | Crystal structure benzimidazole X-ray diffraction hydrogen bonding |
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