Crystallography Open Database

Information card for entry 2022827

2022826 << 2022827 >> 2022828

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Coordinates	2022827.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	<i>N</i>-Cyclohexyltryptammonium bromide
Chemical name	<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanaminium bromide
Formula	C16 H23 Br N2
Calculated formula	C16 H23 Br N2
Title of publication	N-Cyclohexyltryptamine: freebase, bromide and fumarate
Authors of publication	Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; 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	8
Pages of publication	752 - 756
a	10.5584 ± 0.0006 Å
b	7.9266 ± 0.0005 Å
c	19.4507 ± 0.0013 Å
α	90°
β	92.406 ± 0.002°
γ	90°
Cell volume	1626.44 ± 0.18 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 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	0.0493
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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