Crystal structure and Hirshfeld surface analysis of 2-(1H-indol-3-yl)ethanaminium acetate hemihydrate.

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作者:Rajeswari Balakrishnan, Santhi Radhakrishnan, Sivajeyanthi Palaniyappan, Balasubramani Kasthuri
The title mol-ecular salt, C(10)H(13)N(2) (+)·C(2)H(3)O(2) (-)·0.5H(2)O, crystallized with four 2-(1H-indol-3-yl)ethanaminium cations (A, B, C and D) and four acetate anions in the asymmetric unit, together with two water mol-ecules of crystallization. Each cation is linked to an anion by a C-H⋯π inter-action. The alkyl-aminium side chains have folded conformations, with N-C-C-C torsion angles of -58.5†(3), 59.5†(3), -64.6†(3) and -56.0†(3)° for cations A, B, C and D, respectively. In the crystal, the cations and anions are liked by N-H⋯O and C-H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by the water mol-ecules via O(water)-H⋯O and N-H⋯O(water) hydrogen bonds, forming layers lying parallel to the bc plane. The overall inter-molecular inter-actions were investigated using Hirshfeld surfaces analysis.

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