Crystallography Open Database

Information card for entry 2219747

2219746 << 2219747 >> 2219748

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Structure parameters

Chemical name	4-[3-(4-Nitrophenoxy)propoxy]aniline
Formula	C15 H16 N2 O4
Calculated formula	C15 H16 N2 O4
SMILES	c1(ccc(cc1)OCCCOc1ccc(cc1)N)N(=O)=O
Title of publication	4-[3-(4-Nitrophenoxy)propoxy]aniline
Authors of publication	Zheng, Li-Mei; Wei, Xian; Peng, Xiao-Rong; Zeng, Jin-Ping; Zhang, Yun-Qian
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	11
Pages of publication	o2110
a	10.808 ± 0.008 Å
b	34.79 ± 0.03 Å
c	7.596 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2856 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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