Crystallography Open Database

Information card for entry 2203217

2203216 << 2203217 >> 2203218

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Structure parameters

Chemical name	4-[(4-methylphenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl] aminomethylene}cyclohexa-3,5-dien-1(2H)-one
Formula	C19 H23 N3 O5
Calculated formula	C19 H23 N3 O5
SMILES	COC1=CC(=C/C(=C/NC(CO)(CO)CO)C1=O)/N=N/c1ccc(cc1)C
Title of publication	4-[(4-Methylphenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one
Authors of publication	Kos̨ar, Bas̨ak; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o246 - o247
a	17.4603 ± 0.0017 Å
b	10.7156 ± 0.0012 Å
c	10.6495 ± 0.0009 Å
α	90°
β	94.83 ± 0.007°
γ	90°
Cell volume	1985.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	291 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	0.1767
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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