Crystallography Open Database

Information card for entry 7215129

Preview

Coordinates	7215129.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.C(=O)(c1ccccc1C(=O)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	8.998 ± 0.012 Å
b	9.624 ± 0.013 Å
c	13.044 ± 0.018 Å
α	94.09 ± 0.03°
β	106.38 ± 0.03°
γ	91.93 ± 0.03°
Cell volume	1079 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	7215129.cif
111339	2014-04-21	cif/ Adding structures of 7215129, 7215130, 7215131, 7215132, 7215133 via cif-deposit CGI script.	7215129.cif