The solid-state structure of the synthetic psychedelic 5-methoxy-N,N-diallyltryptamine (5-MeO-DMT) is reported in its freebase form. The work provides crystallographic data, including molecular conformation and packing, which can inform understanding of the compound's chemical properties.
The crystal structure of the compound 4-hydroxy-N,N-di-n-propyltryptammonium (4-HO-DPT) chloride was determined. The asymmetric unit contains one protonated tryptammonium cation and one chloride anion. The ions are linked by N—H...Cl and O—H...Cl hydrogen bonds, forming ladder chains along the [010] direction.
The crystal structure of a salt formed from a protonated tryptammonium derivative and fumarate was determined using X-ray diffraction. The asymmetric unit contains one singly protonated tryptammonium cation, half of a fumarate dianion, and half of a fumaric acid molecule. In the crystal, these ions and molecules link into infinite chains along the [001] direction through N—H...O and O—H...O hydrogen bonds.