Crystallography Open Database

Information card for entry 2243949

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Structure parameters

Chemical name	3-(Hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one
Formula	C19 H21 N O2
Calculated formula	C19 H21 N O2
SMILES	O=C1[C@]([C@@H](N[C@H](c2ccccc2)C1)c1ccccc1)(CO)C.O=C1[C@@]([C@H](N[C@@H](c2ccccc2)C1)c1ccccc1)(CO)C
Title of publication	Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one
Authors of publication	Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	1
a	17.3298 ± 0.0008 Å
b	14.1856 ± 0.0007 Å
c	6.5857 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1618.99 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0617
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
271438 (current)	2021-12-15	cif/ hkl/ Adding structures of 2243949 via cif-deposit CGI script.	2243949.cif 2243949.hkl