Crystallography Open Database

Information card for entry 2244236

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Structure parameters

Common name	<i>N</i>-Isopropyl-4-benzyloxy-3-indoleglyoxylamide
Chemical name	2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]-2-oxo-<i>N</i>-(propan-2-yl)acetamide
Formula	C20 H20 N2 O3
Calculated formula	C20 H20 N2 O3
Title of publication	Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.
Authors of publication	Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 4
Pages of publication	280 - 286
a	16.423 ± 0.0013 Å
b	6.5609 ± 0.0004 Å
c	33.469 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3606.3 ± 0.4 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.15 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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