Crystallography Open Database

Information card for entry 2241192

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Structure parameters

Chemical name	2-[4(<i>E</i>)-2,6-Bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide
Formula	C21 H22 Cl2 N2 O
Calculated formula	C21 H22 Cl2 N2 O
SMILES	Clc1ccc(cc1)[C@H]1N[C@H]([C@@H](/C(=C/C(=O)N)C1)CC)c1ccc(Cl)cc1.Clc1ccc(cc1)[C@@H]1N[C@@H]([C@H](/C(=C/C(=O)N)C1)CC)c1ccc(Cl)cc1
Title of publication	Crystal structure of 2-[4(<i>E</i>)-2,6-bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide
Authors of publication	Priya, K.; Saravanan, K.; Selvanayagam, S.; Kabilan, S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	o832 - o833
a	8.3293 ± 0.0002 Å
b	12.2924 ± 0.0003 Å
c	19.3226 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1978.38 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0369
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241192.cif 2241192.hkl
181912	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241192.cif 2241192.hkl
164395	2015-10-10	cif/ hkl/ Adding structures of 2241192 via cif-deposit CGI script.	2241192.cif 2241192.hkl