Crystallography Open Database

Information card for entry 2023543

2023542 << 2023543 >> 2023544

Preview

Coordinates	2023543.cif
Original IUCr paper	HTML

Structure parameters

Common name	Levofloxacinium 4-methylbenzoate
Chemical name	4-{11-Carboxy-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}^]trideca-5,7,9(13),11-tetraen-6-yl}-1-methylpiperazin-1-ium 4-methylbenzoate
Formula	C26 H28 F N3 O6
Calculated formula	C26 H28 F N3 O6
Title of publication	Crystal structure and Hirshfeld surface analysis of anhydrous salt of levofloxacin and 4-methylbenzoic acid
Authors of publication	Patel, Bhumi C.; Modi, Krunal M.; Reddy, J. Prakasha
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	12
Pages of publication	1149 - 1152
a	7.1788 ± 0.001 Å
b	13.0274 ± 0.0013 Å
c	25.979 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2429.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1617
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
304188 (current)	2025-12-28	cif/ hkl/ Adding structures of 2023543 via cif-deposit CGI script.	2023543.cif