Crystallography Open Database

Information card for entry 2242419

Preview

Coordinates	2242419.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-5-Benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol
Formula	C20 H16 Cl N O2
Calculated formula	C20 H16 Cl N O2
SMILES	Clc1ccc(/N=C/c2c(O)cc(OCc3ccccc3)cc2)cc1
Title of publication	Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
Authors of publication	Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	4
Pages of publication	478 - 482
a	6.056 ± 0.002 Å
b	7.363 ± 0.003 Å
c	36.761 ± 0.012 Å
α	90°
β	91.3 ± 0.02°
γ	90°
Cell volume	1638.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0865
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
206891 (current)	2018-03-10	cif/ Adding structures of 2242419, 2242420 via cif-deposit CGI script.	2242419.cif