Crystallography Open Database

Information card for entry 2023544

2023543 << 2023544 >> 2023545

Preview

Coordinates	2023544.cif
Original IUCr paper	HTML

Structure parameters

Common name	4-Hydroxy-<i>N</i>-propyltryptamine
Chemical name	3-[2-(Propylamino)ethyl]-1<i>H</i>-indol-4-ol
Formula	C13 H18 N2 O
Calculated formula	C13 H18 N2 O
Title of publication	Syntheses and structures of two norpsilocin derivatives: N-ethyl-4-hydroxytryptamine (4-HO-NET) and 4-hydroxy-N-propyltryptamine (4-HO-NPT)
Authors of publication	Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	9
Pages of publication	1082 - 1086
a	9.0478 ± 0.0006 Å
b	11.668 ± 0.0008 Å
c	11.3885 ± 0.0007 Å
α	90°
β	91.523 ± 0.002°
γ	90°
Cell volume	1201.86 ± 0.14 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306769 (current)	2026-08-29	cif/ Adding structures of 2023544, 2023545 via cif-deposit CGI script.	2023544.cif