Crystallography Open Database

Information card for entry 1572306

Preview

Coordinates	1572306.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-[(2-Phenylethyl)amino]benzoic acid
Formula	C15 H15 N O2
Calculated formula	C15 H15 N O2
Title of publication	4-[(2-Phenylethyl)amino]benzoic acid
Authors of publication	Zhang, Kexin; Long, Sihui
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	8
Pages of publication	x240753
a	14.7698 ± 0.0007 Å
b	6.673 ± 0.0003 Å
c	26.2392 ± 0.0012 Å
α	90°
β	102.231 ± 0.005°
γ	90°
Cell volume	2527.4 ± 0.2 Å³
Cell temperature	305 K
Ambient diffraction temperature	305 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	0.0995
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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)	1572306.cif
294022	2024-08-07	cif/ Adding structures of 1572306 via cif-deposit CGI script.	1572306.cif