Crystallography Open Database

Information card for entry 2242420

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Structure parameters

Chemical name	(<i>E</i>)-5-Benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
Formula	C24 H22 N2 O2
Calculated formula	C24 H22 N2 O2
SMILES	O=c1c(=CNCCc2c[nH]c3ccccc23)ccc(OCc2ccccc2)c1
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	5.5265 ± 0.0006 Å
b	20.1714 ± 0.0019 Å
c	17.027 ± 0.002 Å
α	90°
β	97.216 ± 0.005°
γ	90°
Cell volume	1883.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1077
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
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.	2242420.cif
206891	2018-03-10	cif/ Adding structures of 2242419, 2242420 via cif-deposit CGI script.	2242420.cif