Crystallography Open Database

Information card for entry 4507620

Preview

Coordinates	4507620.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid
Formula	C19 H22 F N3 O3
Calculated formula	C19 H22 F N3 O3
SMILES	c1(c(=O)c2cc(c(cc2n(c1)C1CC1)N1CCN(CC1)CC)F)C(=O)O
Title of publication	Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability
Authors of publication	Karanam, Maheswararao; Choudhury, Angshuman Roy
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1626
a	13.9345 ± 0.0004 Å
b	6.8516 ± 0.0002 Å
c	25.1563 ± 0.0005 Å
α	90°
β	133.798 ± 0.001°
γ	90°
Cell volume	1733.56 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0353
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179612 (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 4/50/76.	4507620.cif
85587	2013-05-07	cif/ Adding structures of 4507620 via cif-deposit CGI script.	4507620.cif