Crystallography Open Database

Information card for entry 2022460

2022459 << 2022460 >> 2022461

Preview

Structure parameters

Common name	7-Methyltryptammonium chloride
Chemical name	2-(7-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride
Formula	C11 H15 Cl N2
Calculated formula	C11 H15 Cl N2
SMILES	[Cl-].[nH]1cc(c2c1c(ccc2)C)CC[NH3+]
Title of publication	The crystalline forms of nine hydrochloride salts of substituted tryptamines
Authors of publication	Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	10
a	9.1893 ± 0.0005 Å
b	9.3259 ± 0.0004 Å
c	27.5149 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2358 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269100 (current)	2021-09-11	cif/ hkl/ Adding structures of 2022452, 2022453, 2022454, 2022455, 2022456, 2022457, 2022458, 2022459, 2022460 via cif-deposit CGI script.	2022460.cif 2022460.hkl