Crystallography Open Database

Information card for entry 2311567

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Structure parameters

Chemical name	2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol
Formula	C34 H28 N2 O4
Calculated formula	C34 H28 N2 O4
SMILES	c1cc(/N=C/c2c(cc(cc2)OCc2ccccc2)O)c(cc1)/N=C/c1c(cc(cc1)OCc1ccccc1)O
Title of publication	Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol.
Authors of publication	Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 5
Pages of publication	682 - 686
a	35.297 ± 0.003 Å
b	9.3902 ± 0.0006 Å
c	8.3603 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2771 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311567.cif
245989	2019-12-25	cif/ Adding structures of 2311567 via cif-deposit CGI script.	2311567.cif