The title compound, C(8)H(7)N(3)O(2), a potential anti-tumour drug and an anti-oxidant agent, was studied in order to give more insight into structure-function relationships. The 1-methyl-benzimidazole unit of the mol-ecule was found to be exactly planar and the nitro group is inclined at an angle of 10.4 (2)° to the plane of the heterocycle. The bond lengths in the present derivative were analyzed in details and compared with those of the parent unsubstituted analogues in the Cambridge Structural Database. The results have shown that the additional nitro group is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring.
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http://dx.doi.org/10.1107/S1600536808005886 | DOI Listing |
J Sci Food Agric
January 2025
College of Food Science and Engineering, South China University of Technology, Guangzhou, China.
Background: Polyether ether ketone (PEEK) was modified by a sulfuric and nitric acid mixed system to improve the solubility of the material and the gas selective permeability of the film. SN1 and SN5, synthesized from mixed acid systems (with ratios of nitric acid and sulfuric acid of 1:1 and 1:5, respectively) were chosen because they had comparable nitro groups but differing sulfonyl groups. To investigate the impact of the type and content of sulfonated and nitrated polyether ether ketone (SNPEEK) on the structure and physicochemical properties of the films, SN1/polyvinyl chloride (PVC) and SN5/polyvinyl chloride films were made by adding varying amounts of SN1 and SN5 (0.
View Article and Find Full Text PDFACS Omega
January 2025
Department of Applied Chemistry, Faculty of Applied Sciences Ait Melloul, Ibn Zohr University, Agadir 60000, Morocco.
The objective of the study was to synthesize tetrazole molecules featuring nitro groups positioned at the para and meta locations. We aimed to assess their effectiveness in inhibiting corrosion of mild steel in a 1 M HCl solution at 298 K. Tetrazoles with 2,5-disubstitution were created using [3 + 2] cycloaddition and N-alkylation techniques, with a particular emphasis on synthesizing molecules that contain nitro groups.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2025
School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 611731, Sichuan, China.
The structural stability of the energetic material 2,2',4,4',6,6'-hexanitrostilbene (-HNS) under high pressure is critical for optimizing its detonation performance and low sensitivity. However, its structural response to external pressure has not been sufficiently investigated. In this study, high-pressure single-crystal X-ray diffraction data of -HNS demonstrate that the sample exhibits pronounced anisotropic strain, demonstrating an unusual negative linear compressibility (NLC) along the axis, with a coefficient of -4.
View Article and Find Full Text PDFPlant Physiol
January 2025
Group of Biochemistry and Cell Signalling in Nitric Oxide, University Institute for Research in Olive Groves and Olive Oils, Department of Experimental Biology, Faculty of Experimental Sciences, Campus "Las Lagunillas" s/n, University of Jaén, E-23071, Jaén, Spain.
-Nitro-fatty acids (NO2-FAs) have emerged as key components of nitric oxide (NO) signalling in eukaryotes. We previously described how nitro-linolenic acid (NO2-Ln), the major NO2-FA detected in plants, regulates S-nitrosoglutathione (GSNO) levels in Arabidopsis (Arabidopsis thaliana). However, the underlying molecular mechanisms remain undefined.
View Article and Find Full Text PDFChemphyschem
January 2025
University of Vigo, Dept. of Physical Chemistry, Lagoas-Marcosende, 36310, Vigo, SPAIN.
The aromaticity of a representative sample of pro-aromatic radicals and its nitro, amino, hydroxyl and imine substituted derivatives has been analysed by means of multicentre delocalization indices (MCI) and nuclear-independent chemical shifts (NICS). Because of their radical character, these compounds may exhibit conflicting α/ß aromaticity, so that the contribution of α and β electrons to the MCI and NICS has been analysed separately and their values qualitatively interpreted in terms of the 2n+1/2n rule. All the monocyclic radicals investigated show conflicting α/β aromaticity.
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