Crystallography Open Database

Information card for entry 8106592

Preview

Coordinates	8106592.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2,6-diisopropyl-N-(pyridin-3-ylmethylene)aniline
Formula	C18 H22 N2
Calculated formula	C18 H22 N2
SMILES	c1(cnccc1)/C=N/c1c(cccc1C(C)C)C(C)C
Title of publication	The crystal structure of the Schiff base (E)-2,6-diisopropyl-N-(pyridin-3-yl-methylene)aniline, C18H22N2
Authors of publication	Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	525 - 526
a	8.1226 ± 0.0005 Å
b	17.4745 ± 0.001 Å
c	11.1822 ± 0.0006 Å
α	90°
β	102.549 ± 0.002°
γ	90°
Cell volume	1549.27 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.044
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
280599 (current)	2023-01-25	cif/ Adding structures of 8106592 via cif-deposit CGI script.	8106592.cif