Crystallography Open Database

Information card for entry 7215130

Preview

Coordinates	7215130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 F N3 O7
Calculated formula	C24 H24 F N3 O7
SMILES	C1CN(CC[NH2+]1)c1c(cc2c(c1)n(cc(c2=O)C(=O)O)CC)F.c1(cccc(c1)C(=O)[O-])C(=O)O
Title of publication	Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation
Authors of publication	Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	30
Pages of publication	6090
a	13.994 ± 0.0017 Å
b	13.6288 ± 0.0018 Å
c	22.537 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4298.3 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215130.cif
111339	2014-04-21	cif/ Adding structures of 7215129, 7215130, 7215131, 7215132, 7215133 via cif-deposit CGI script.	7215130.cif