Crystallography Open Database

Information card for entry 4508829

Preview

Coordinates	4508829.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	norfloxacinmaleate hydrate
Chemical name	norfloxacinmaleate hydrate
Formula	C20 H24 F N3 O8
Calculated formula	C20 H24 F N3 O8
SMILES	Fc1c(N2CC[NH2+]CC2)cc2n(cc(c(=O)c2c1)C(=O)O)CC.O.O=C([O-])/C=C\C(=O)O
Title of publication	Pharmaceutical Cocrystal and Salts of Norfloxacin
Authors of publication	Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	12
Pages of publication	2699
a	7.089 ± 0.0002 Å
b	9.8742 ± 0.0003 Å
c	14.5854 ± 0.0003 Å
α	96.457 ± 0.002°
β	92.3 ± 0.002°
γ	102.937 ± 0.002°
Cell volume	986.47 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.066
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179624 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/88.	4508829.cif
96960	2014-01-29	cif/ Adding structures of 4508825, 4508826, 4508827, 4508828, 4508829 via cif-deposit CGI script.	4508829.cif