Crystallography Open Database

Information card for entry 2023190

2023189 << 2023190 >> 2023191

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Coordinates	2023190.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-(Dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate; <i>N</i>,<i>N</i>-dimethylpyridin-4-amine
Formula	C23 H27 N5 O4 S
Calculated formula	C23 H27 N5 O4 S
Title of publication	Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine
Authors of publication	Isobe, Mami; Kashiwagi, Yukiyasu; Kubono, Koji
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	8.00032 ± 0.0001 Å
b	15.14469 ± 0.00018 Å
c	18.9141 ± 0.0002 Å
α	90°
β	100.605 ± 0.0012°
γ	90°
Cell volume	2252.53 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
293349 (current)	2024-07-10	cif/ Adding structures of 2023190 via cif-deposit CGI script.	2023190.cif