Crystallography Open Database

Information card for entry 2221396

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Structure parameters

Chemical name	2-Ethyl-5-nitroaniline
Formula	C8 H10 N2 O2
Calculated formula	C8 H10 N2 O2
SMILES	O=N(=O)c1ccc(CC)c(N)c1
Title of publication	2-Ethyl-5-nitroaniline
Authors of publication	Chen, Yan; Fang, Zheng; Wei, Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	4
Pages of publication	o827
a	23.037 ± 0.005 Å
b	3.954 ± 0.0008 Å
c	18.393 ± 0.004 Å
α	90°
β	104.51 ± 0.03°
γ	90°
Cell volume	1621.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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