Crystallography Open Database

Information card for entry 2101875

Preview

Coordinates	2101875.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone
Formula	C15 H21 N O2
Calculated formula	C15 H21 N O2
SMILES	OC1(NC(=O)C(CC1(C)C)(C)C)c1ccccc1
Title of publication	Conformation-Related Reaction Efficiency of Glutarimides with Phenyllithium. Structures of 3,3,5,5-Tetramethylglutarimide and 2-Hydroxy-2-phenyl-3,3,5,5-tetramethyl-6-piperidone. X-ray and Theoretical Study
Authors of publication	Maurin, Jan K.; Czarnocki, Zbigniew; Paluchowska, Beata; Winnicka-Maurin, Małgorzata
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	719 - 725
a	6.1685 ± 0.0006 Å
b	11.1475 ± 0.001 Å
c	11.526 ± 0.002 Å
α	117.1 ± 0.01°
β	103.39 ± 0.01°
γ	91.288 ± 0.007°
Cell volume	678.84 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.125
Weighted residual factors for significantly intense reflections	0.1154
Goodness-of-fit parameter for all reflections	1.005
Goodness-of-fit parameter for significantly intense reflections	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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