Crystallography Open Database

Information card for entry 1551764

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Structure parameters

Formula	C21 H24 N2 O2
Calculated formula	C21 H24 N2 O2
SMILES	C(c1ccccc1)C(Nc1ccccc1)N1C(=O)CC(CC1=O)(C)C
Title of publication	Crystal Structure of 4,4-Dimethyl-1-[2-phenyl-1-(phenylamino)ethyl]-piperidin-2,6-dione
Authors of publication	RAJNIKANT,; KOHLI, Sabeta; SARMAL, Lovely; MEHDI, Sayed Hasan; PARVEEN, Mehtab
Journal of publication	X-ray Structure Analysis Online
Year of publication	2010
Journal volume	26
Pages of publication	17
a	22.9565 ± 0.0014 Å
b	6.3725 ± 0.0004 Å
c	24.6677 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3608.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1908
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551764.cif
216376	2019-06-20	cif/ Adding structures of 1551764 via cif-deposit CGI script.	1551764.cif