Crystallography Open Database

Information card for entry 2214556

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Structure parameters

Common name	N,N'-Bis(2-hydroxy-3-methoxybenzylidene)1,3-diaminobenzene
Chemical name	6,6'-Dimethoxy-2,2'-[m-phenylenebis(nitrilomethylidyne)]diphenol
Formula	C22 H20 N2 O4
Calculated formula	C22 H20 N2 O4
SMILES	O(c1c(O)c(ccc1)/C=N/c1cccc(/N=C/c2cccc(OC)c2O)c1)C
Title of publication	6,6'-Dimethoxy-2,2'-[<i>m</i>-phenylenebis(nitrilomethylidyne)]diphenol
Authors of publication	Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3570 - o3571
a	19.5677 ± 0.0007 Å
b	6.8591 ± 0.0003 Å
c	29.3903 ± 0.0011 Å
α	90°
β	109.131 ± 0.002°
γ	90°
Cell volume	3726.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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