Crystallography Open Database

Information card for entry 2203182

2203181 << 2203182 >> 2203183

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Structure parameters

Chemical name	5-phenyldiazenyl-6-methoxysalicylaldehyde
Formula	C14 H12 N2 O3
Calculated formula	C14 H12 N2 O3
SMILES	c1(ccccc1)N=Nc1cc(c(c(c1)OC)O)C=O
Title of publication	6-Methoxy-5-(phenyldiazenyl)salicylaldehyde
Authors of publication	Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o230 - o231
a	10.6039 ± 0.0011 Å
b	12.9904 ± 0.0014 Å
c	18.1168 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2495.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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