Crystallography Open Database

Information card for entry 1571166

Preview

Coordinates	1571166.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Fluoro-2-(phenylamino)benzoic acid
Formula	C13 H10 F N O2
Calculated formula	C13 H10 F N O2
Title of publication	4-Fluoro-2-(phenylamino)benzoic acid
Authors of publication	Li, Jingxi; Long, Sihui
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	3
a	9.955 ± 0.0003 Å
b	10.006 ± 0.0003 Å
c	11.332 ± 0.0004 Å
α	89.415 ± 0.0014°
β	78.013 ± 0.0014°
γ	78.901 ± 0.0014°
Cell volume	1082.99 ± 0.06 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571166.html