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Издательство СО РАН

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Поиск по журналу

Журнал структурной химии

2007 год, номер 4

Crystal structure of lansoprazole sulfone

Swamy G.Y.S.K., Ravikumar K.
Ключевые слова: crystal structure, benzimidazole, X-ray diffraction, hydrogen bonding
Страницы: 764-767
Подраздел: СТРУКТУРА ЖИДКОСТЕЙ И РАСТВОРОВ

Аннотация

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 a monoclinic space group (P21/c) with cell parameters a = 8.8693(9), b = 23.369(2), c = 8.6141(8) Å , b  = 104.68(1)° , V = 1727.2(3) Å 3, Z = 4. The final R and wR(F2) 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(14), R(8), and R(18) rings along the c-axis. The crystal lattice is further strengthened by p —p -stacking interactions.