Crystallography Open Database

Information card for entry 2202526

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Coordinates	2202526.cif
Original IUCr paper	HTML

Structure parameters

Common name	2-Hydroxy-3-tert-butyl-5-methylazobenzene
Chemical name	2-tert-butyl-4-metyl-6-(phenyldiazenyl)phenol
Formula	C17 H20 N2 O
Calculated formula	C17 H20 N2 O
SMILES	Oc1c(/N=N/c2ccccc2)cc(cc1C(C)(C)C)C
Title of publication	2-<i>tert</i>-Butyl-4-methyl-6-(phenyldiazenyl)phenol
Authors of publication	Kocaokutgen, Hasan; Soylu, M. Serkan; Lörnecke, Peter; Özkınalı, Sevil
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	12
Pages of publication	o1932 - o1934
a	6.2333 ± 0.0007 Å
b	10.4182 ± 0.0012 Å
c	22.788 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1479.8 ± 0.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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