Crystallography Open Database

Information card for entry 1544793

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Structure parameters

Common name	t(3)-Benzyl-r(2),c(6)-diphenylpiperidin-4-one oxime
Chemical name	3-Benzyl-2,6-diphenylpiperidin-4-one oxime
Formula	C24 H24 N2 O
Calculated formula	C24 H24 N2 O
SMILES	[C@@H]1([C@@H](C(=N\O)\C[C@@H](c2ccccc2)N1)Cc1ccccc1)c1ccccc1.[C@H]1([C@H](C(=N\O)\C[C@H](c2ccccc2)N1)Cc1ccccc1)c1ccccc1
Title of publication	<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one oxime
Authors of publication	Arulraj, R.; Sivakumar, S.; Thiruvalluvar, A.; Manimekalai, A.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	12
Pages of publication	x161982
a	19.5024 ± 0.0009 Å
b	8.7503 ± 0.0004 Å
c	11.65 ± 0.0006 Å
α	90°
β	100.846 ± 0.002°
γ	90°
Cell volume	1952.58 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0503
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1544793.cif 1544793.hkl
189171	2016-12-17	cif/ hkl/ Adding structures of 1544793 via cif-deposit CGI script.	1544793.cif 1544793.hkl