Crystallography Open Database

Information card for entry 2208066

2208065 << 2208066 >> 2208067

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Structure parameters

Chemical name	4-(2-Methoxy-4-nitrophenyldiazenyl)phenol monohydrate
Formula	C13 H13 N3 O5
Calculated formula	C13 H13 N3 O5
SMILES	Oc1ccc(N=Nc2ccc(N(=O)=O)cc2OC)cc1.O
Title of publication	4-(2-Methoxy-4-nitrophenyldiazenyl)phenol monohydrate
Authors of publication	Xiu-Li You; Yan Zhang; De-Chun Zhang
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	o668 - o670
a	7.2392 ± 0.0018 Å
b	8.6741 ± 0.0015 Å
c	11.066 ± 0.003 Å
α	75.286 ± 0.011°
β	88.505 ± 0.015°
γ	84.737 ± 0.015°
Cell volume	669.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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