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Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C-H...A (A = NO₂, N_py and π) and orthogonal N_py...NO₂ and ONO...Csp² interactions.

ABSTRACT: A detailed structural analysis of the benzimidazole nitroarenes 1-(4-nitrophenyl)-1H-1,3-benzimidazole, C₁₃H₉N₃O₂, (I), 1-(4-nitrophenyl)-2-phenyl-1H-1,3-benzimidazole, C₁₉H₁₃N₃O₂, (II), and 2-(3-methylphenyl)-1-(4-nitrophenyl)-1H-1,3-benzimidazole, C₂₀H₁₅N₃O₂, (III), has been performed. They are nonplanar structures whose crystal arrangement is governed by Csp²-H...A (A = NO₂, N_py and π) hydrogen bonding. The inherent complexity of the supramolecular arrangements of compounds (I) (Z' = 2) and (II) (Z' = 4) into tapes, helices and sheets is the result of the additional participation of π-π_NO2 and n-π* (n = O and N

SUBMITTER: Garcia-Aranda MI

PROVIDER: S-EPMC5885323 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C-H...A (A = NO₂, N_py and π) and orthogonal N_py...NO₂ and ONO...Csp² interactions.

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Dataset Information

Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C-H...A (A = NO2, Npy and π) and orthogonal Npy...NO2 and ONO...Csp2 interactions.

OmicsDI is part of the ELIXIR infrastructure

Tweets

Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C-H...A (A = NO₂, N_py and π) and orthogonal N_py...NO₂ and ONO...Csp² interactions.