Crystallography Open Database

Information card for entry 8104701

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Coordinates	8104701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 N2 O
Calculated formula	C16 H20 N2 O
Title of publication	Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O
Authors of publication	Buthelezi, Sipho; Ibrahim, Halliru; Bala, Muhammad D.; Friedrich, Holger B.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	753 - 756
a	9.7933 ± 0.0002 Å
b	17.529 ± 0.0003 Å
c	17.1148 ± 0.0003 Å
α	90°
β	101.242 ± 0.001°
γ	90°
Cell volume	2881.67 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0612
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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