Crystallography Open Database

Information card for entry 2023545

2023544 << 2023545 >> 2023546

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Original IUCr paper	HTML

Structure parameters

Common name	<i>N</i>-Ethyl-4-hydroxytryptamine
Chemical name	3-[2-(Ethylamino)ethyl]-1<i>H</i>-indol-4-ol
Formula	C12 H16 N2 O
Calculated formula	C12 H16 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	8.3887 ± 0.0005 Å
b	9.0776 ± 0.0005 Å
c	14.5657 ± 0.0009 Å
α	90°
β	100.132 ± 0.002°
γ	90°
Cell volume	1091.87 ± 0.11 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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