Halogen,hydrogen and electrostatic interactions in 2‐amino‐5‐chloro‐1,3‐benzoxazol‐3‐ium nitrate and 2‐amino‐5‐chloro‐1,3‐benzoxazol‐3‐ium perchlorate |
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Authors: | Rafal Kruszynski Agata Trzesowska‐Kruszynska |
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Abstract: | In the title compounds, C7H6ClN2O+·NO3? and C7H6ClN2O+·ClO4?, the ions are connected by N—H...O hydrogen bonds and halogen interactions. Additionally, in the first compound, co‐operative π–π stacking and halogen...π interactions are observed. The energies of the observed interactions range from a value typical for very weak interactions (1.80 kJ mol?1) to one typical for mildly strong interactions (53.01 kJ mol?1). The iminium cations exist in an equilibrium form intermediate between exo‐ and endocyclic. This study provides structural insights relevant to the biochemical activity of 2‐amino‐5‐chloro‐1,3‐benzoxazole compounds. |
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