Crystallography Open Database

Information card for entry 7216618

Preview

Coordinates	7216618.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ciprofloxacin diflunisal salt
Formula	C30 H26 F3 N3 O6
Calculated formula	C30 H26 F3 N3 O6
SMILES	c12cc(c(cc1c(=O)c(cn2C1CC1)C(=O)O)F)N1CC[NH2+]CC1.c1(c2ccc(cc2F)F)cc(C(=O)[O-])c(cc1)O
Title of publication	Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen
Authors of publication	Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	32
Pages of publication	7393
a	7.116 ± 0.002 Å
b	9.994 ± 0.004 Å
c	19.147 ± 0.007 Å
α	81.47 ± 0.009°
β	82.505 ± 0.008°
γ	87.191 ± 0.008°
Cell volume	1334.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0822
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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
180497 (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 7/21/66.	7216618.cif
121631	2014-08-08	cif/ Updating files of 7216618, 7216619 Original log message: Adding full bibliography for 7216618--7216619.cif.	7216618.cif
117676	2014-06-15	cif/ Adding structures of 7216618, 7216619 via cif-deposit CGI script.	7216618.cif