Crystal Structure and Pharmacological Importance of Benzimidazoles and Their Derivatives
Journal Title: Biomedical Journal of Scientific & Technical Research (BJSTR) - Year 2017, Vol 1, Issue 5
Abstract
Benzimidazoles and their derivatives exhibit a number of important pharmacological properties, such as antihistaminic [1], anti-ulcerative [2], anti allergic [3], and antipyretic [4]. In addition, benzimidazole derivatives are effective against the human cytomegalovirus (HCMV) [5] and are also efficient selective neuropeptide Y Y1 receptor antagonists [6]. We report here in the Crystal structure of 2-(4-(methylthio) phenyl)-1H-benzo[d] imidazole (1) and 2-(4-Methylsulfanylphenyl)-1Hbenzimidazol-3- ium bromide (2). The X-ray diffraction data for the compound 1 was collected on a Bruker Smart CCD Area Detector System, using MoKα (0.71073Å) radiation for the crystal. Intensity data were collected up to a maximum of 26.37° in the w–ф scan mode. The data were reduced using SAINTPLUS [7]. The structure was solved by direct methods using SHELXS97 [8] and difference Fourier synthesis using SHELXL97 [8]. The positions and anisotropic displacement parameters of all non-hydrogen atoms were included in the fullmatrix least-square refinement using SHELXL97 [8] and the procedures were carried out for a few cycles until convergence was reached. A total of 17827 reflections were collected, resulting in 2520 [R(int) = 0.0847] independent reflections of which the number of reflections satisfying I>2 σ(I) criteria was 1382. The R factor for observed data finally converged to R= 0.0736 with wR2 = 0.1351 in the compound. Molecular diagrams were generated using ORTEP [9]. The mean plane calculation was done using the program PARST [10] (Figures 1 & 2).
Authors and Affiliations
Mohamed Ziaulla
Keywords
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- EP ID EP573850
- DOI 10.26717/BJSTR.2017.01.000437
- Views 181
- Downloads 0
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