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Crystallographic and spectroscopic characterization of two 1-phenyl-1 H -imidazoles: 4-(1 H -imidazol-1-yl)benzaldehyde and 1-(4-meth-oxy-phen-yl)-1 H -imidazole.

Isobelle F McClementsClara R WieslerJoseph M Tanski
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
The title compounds, C 10 H 8 N 2 O, (I), and C 10 H 10 N 2 O, (II), are two 1-phenyl-1 H -imidazole derivatives, which differ in the substituent para to the imidazole group on the arene ring, i.e. a benzaldehyde, (I), and an anisole, (II). Both mol-ecules pack with different motifs via similar weak C-H⋯N/O inter-actions and differ with respect to the angles between the mean planes of the imidazole and arene rings [24.58 (7)° in (I) and 43.67 (4)° in (II)].
Keyphrases
  • water soluble
  • molecular dynamics simulations