Crystallography Open Database

Information card for entry 1568797

Preview

Coordinates	1568797.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(4-Methoxy-3-nitrophenyl)acetamide
Formula	C9 H10 N2 O4
Calculated formula	C9 H10 N2 O4
Title of publication	N-(4-Methoxy-3-nitrophenyl)acetamide
Authors of publication	Hines III, James E.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R.; Uppu, Rao M.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	4
Pages of publication	x230298
a	10.874 ± 0.0008 Å
b	7.0136 ± 0.0006 Å
c	12.2891 ± 0.0012 Å
α	90°
β	92.313 ± 0.005°
γ	90°
Cell volume	936.48 ± 0.14 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1568797.cif
282413	2023-04-05	cif/ Adding structures of 1568797 via cif-deposit CGI script.	1568797.cif