In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 78, No. 10 ( 2022-10-01), p. 1034-1038
Abstract:
The solid-state structures of two solvated forms of 4-glutarato- N , N -diisopropyltryptamine were determined by single-crystal X-ray diffraction, namely, 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1 H -indol-4-yl)oxy]-5-oxopentanoate methanol monosolvate, C 21 H 30 N 2 O 4 ·CH 3 OH, and the analogous ethanol monosolvate, C 21 H 30 N 2 O 4 ·C 2 H 6 O. In both compounds, the 4-glutarato- N , N -diisopropyltryptamine exists as a zwitterion with a protonated tertiary ammonium and a deprotonated glutarato carboxylate. The tryptamine zwitterions and alcohol solvates in both structures combine to produce near identical hydrogen-bonding networks, with N—H...O and O—H...O hydrogen bonds joining the molecules together in two-dimensional networks parallel to the (100) plane.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989022009094
DOI:
10.1107/S2056989022009094/zn2023sup1.cif
DOI:
10.1107/S2056989022009094/zn2023Isup2.hkl
DOI:
10.1107/S2056989022009094/zn2023IIsup3.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2022
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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