Crystallography Open Database

Information card for entry 2238913

Preview

Structure parameters

Chemical name	2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile
Formula	C19 H19 N5
Calculated formula	C19 H19 N5
SMILES	N#Cc1c(nc(c(c1c1ccc(cc1)C)C#N)N)N1CCCCC1
Title of publication	2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile
Authors of publication	Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1807
a	14.8695 ± 0.0012 Å
b	7.735 ± 0.0006 Å
c	15.2791 ± 0.0013 Å
α	90°
β	107.196 ± 0.008°
γ	90°
Cell volume	1678.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1573
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	0.768
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238913.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238913.cif
92316	2014-01-12	cif/ Adding structures of 2238913 via cif-deposit CGI script.	2238913.cif