5-Amino-1-methyl-1H-benzimidazole (original) (raw)
2009, Acta Crystallographica Section E-structure Reports Online
AI-generated Abstract
The compound 5-Amino-1-methyl-1H-benzimidazole (C8H9N3) is explored for its potential antitumour properties, with its molecular structure characterized through crystallography. The benzimidazole core exhibited a planar configuration, while substituents displayed slight displacements. Observations noted how lone-pair electrons on the amino nitrogen participated in conjugation influencing charge distribution within the heterocycle. The study identified significant intermolecular hydrogen bonding, and detailed the crystal's geometric parameters and the refinement process employed in analysis.
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In the title compound, C 25 H 22 N 2 O 3 , the central imidazole ring makes dihedral angles of 48.43 (10), 20.23 (10) and 75.38 (11) with the benzene ring and the two phenyl rings, respectively. The phenyl ring adjacent to the N-bonded 2-hydroxypropyl group shows the greatest twist, presumably to minimize steric interactions. In the crystal, molecules are linked by O-HÁ Á ÁN, O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds, forming a threedimensional network. In addition, C-HÁ Á Á interactions are also observed.
2-(2-Benzyloxyphenyl)-1 H -benzimidazole
Acta Crystallographica Section E Structure Reports Online, 2008
Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.005 Å; R factor = 0.048; wR factor = 0.101; data-to-parameter ratio = 6.7.
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