Crystallography Open Database

Information card for entry 2235156

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Structure parameters

Chemical name	4-Acetamidoanilinium nitrate monohydrate
Formula	C8 H13 N3 O5
Calculated formula	C8 H13 N3 O5
SMILES	O=C(Nc1ccc([NH3+])cc1)C.O=N(=O)[O-].O
Title of publication	4-Acetamidoanilinium nitrate monohydrate
Authors of publication	Riahi, Sana; Mrad, Mohamed Lahbib; Ferretti, Valeria; Lefebvre, Frederic; Ben Nasr, Cherif
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	6
Pages of publication	o1647
a	4.1059 ± 0.0001 Å
b	23.1112 ± 0.0005 Å
c	11.4702 ± 0.0003 Å
α	90°
β	92.942 ± 0.001°
γ	90°
Cell volume	1087 ± 0.05 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0661
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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