Crystallography Open Database

Information card for entry 1574769

Preview

Coordinates	1574769.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Methyl-4-[(4-methylphenyl)amino]benzoic acid
Formula	C15 H15 N O2
Calculated formula	C15 H15 N O2
Title of publication	2-Methyl-4-[(4-methylphenyl)amino]benzoic acid
Authors of publication	He, Fang; Long, Sihui
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	5
Pages of publication	x250455
a	16.418 ± 0.0005 Å
b	9.9205 ± 0.0003 Å
c	15.2137 ± 0.0005 Å
α	90°
β	95.722 ± 0.003°
γ	90°
Cell volume	2465.58 ± 0.13 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0494
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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)	1574769.cif
299893	2025-05-31	cif/ Adding structures of 1574769 via cif-deposit CGI script.	1574769.cif