Crystallography Open Database

Information card for entry 8106537

Preview

Coordinates	8106537.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2,6-diisopropyl-N-(pyridin-4-ylmethylene)aniline
Formula	C18 H22 N2
Calculated formula	C18 H22 N2
SMILES	c1(ccncc1)/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-4-ylmethylene)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	3
Pages of publication	363 - 364
a	9.466 ± 0.0004 Å
b	9.4043 ± 0.0003 Å
c	18.0824 ± 0.0007 Å
α	90°
β	96.07 ± 0.002°
γ	90°
Cell volume	1600.69 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0465
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
280513 (current)	2023-01-23	cif/ Adding structures of 8106537 via cif-deposit CGI script.	8106537.cif