Crystallography Open Database

Information card for entry 2311646

Preview

Coordinates	2311646.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NF m-OH-benzoate
Formula	C23 H26 F N3 O7
Calculated formula	C23 H26 F N3 O7
SMILES	Fc1cc2C(=O)C(C(=O)O)=CN(c2cc1N1CC[NH2+]CC1)CC.[O-]C(=O)c1cc(O)ccc1.O
Title of publication	Supramolecular structures and physicochemical properties of norfloxacin salts.
Authors of publication	Xu, Yun; Jiang, Linglei; Mei, Xuefeng
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2014
Journal volume	70
Journal issue	Pt 4
Pages of publication	750 - 760
a	8.0761 ± 0.0002 Å
b	14.7184 ± 0.0003 Å
c	18.777 ± 0.0004 Å
α	90°
β	99.269 ± 0.001°
γ	90°
Cell volume	2202.83 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0421
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
246069 (current)	2019-12-26	cif/ Adding structures of 2311644, 2311645, 2311646, 2311647, 2311648, 2311649, 2311650 via cif-deposit CGI script.	2311646.cif