Crystallography Open Database

Information card for entry 2311430

Preview

Coordinates	2311430.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42
Formula	C13 H14 N2 O2
Calculated formula	C13 H14 N2 O2
Title of publication	4-Amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42: a redetermination from the original data.
Authors of publication	Fábry, Jan
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1508 - 1512
a	7.597 ± 0.0007 Å
b	11.6665 ± 0.0012 Å
c	7.6754 ± 0.0008 Å
α	90°
β	114.2 ± 0.003°
γ	90°
Cell volume	620.49 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.29
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
245878 (current)	2019-12-25	cif/ Adding structures of 2311430 via cif-deposit CGI script.	2311430.cif