Crystallography Open Database

Information card for entry 2214364

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Structure parameters

Chemical name	5,5'-Dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
Formula	C22 H20 N2 O4
Calculated formula	C22 H20 N2 O4
SMILES	Oc1cc(OC)ccc1/C=N/c1ccccc1/N=C/c1ccc(OC)cc1O
Title of publication	5,5'-Dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenol
Authors of publication	Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	o3094 - o3095
a	6.2038 ± 0.0003 Å
b	17.8512 ± 0.0008 Å
c	16.6216 ± 0.0009 Å
α	90°
β	91.072 ± 0.003°
γ	90°
Cell volume	1840.44 ± 0.16 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0859
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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