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. 2023 Sep 8;8(Pt 9):x230779.
doi: 10.1107/S2414314623007794. eCollection 2023 Sep.

Bis(4-acetoxy- N-ethyl- N- n-propyl-tryptammonium) fumarate-fumaric acid (1/1)

Affiliations

Bis(4-acetoxy- N-ethyl- N- n-propyl-tryptammonium) fumarate-fumaric acid (1/1)

Duyen N K Pham et al. IUCrdata. .

Abstract

The solid-state structure of the title salt/adduct (systemic name: bis-{[2-(4-acet-yloxy-1H-indol-3-yl)eth-yl](eth-yl)propyl-aza-nium} but-2-enedioate-(E)-butenedioic acid (1/1)), 2C17H25N2O2 +·C4H2O4 2-·C4H4O4, was determined by single-crystal X-ray diffraction. The asymmetric unit consists of a singly protonated tryptammonium cation, one half of a fumarate dianion and one half of a fumaric acid mol-ecule. In the crystal, the ions and mol-ecules are linked together in infinite chains propagating along [001] through a series of N-H⋯O and O-H⋯O hydrogen bonds.

Keywords: crystal structure; fumarates; hydrogen bonds; indoles; tryptamines.

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Figures

Figure 1
Figure 1
The mol­ecular structure of 4-AcO-EPT fumarate–fumaric acid showing the atomic labeling. Displacement ellipsoids are shown at the 50% probability level. Dashed bonds indicate a disordered component in the structure. Hydrogen bonds are shown as dashed lines. Symmetry codes: (i) −x, −y, 1 − z; (ii) −x, −y, 2 − z.
Figure 2
Figure 2
The crystal packing of the title compound viewed along the b axis. The hydrogen bonds are shown as dashed lines. Hydrogen atoms not involved in hydrogen bonds are omitted for clarity. Only one component of disorders are shown.

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