Crystallography Open Database

Information card for entry 2244008

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Structure parameters

Common name	<i>N</i>-Acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine
Chemical name	1-(3-Methyl-2,6-diphenylpiperidin-1-yl)ethanone
Formula	C20 H23 N O
Calculated formula	C20 H23 N O
SMILES	[C@@H]1(CC[C@@H]([C@@H](c2ccccc2)N1C(=O)C)C)c1ccccc1
Title of publication	Crystal structure, DFT and Hirshfeld surface analysis of <i>N</i>-acetyl-<i>t</i>-3-methyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidine
Authors of publication	Periyannan, P.; Beemarao, M.; Karthik, K .; Ponnuswamy, S.; Ravichandran, K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	2
a	8.3063 ± 0.0004 Å
b	7.5842 ± 0.0004 Å
c	13.841 ± 0.0007 Å
α	90°
β	104.174 ± 0.002°
γ	90°
Cell volume	845.39 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
272051 (current)	2022-01-15	cif/ hkl/ Adding structures of 2244008 via cif-deposit CGI script.	2244008.cif 2244008.hkl