Crystallography Open Database

Information card for entry 7240151

Preview

Coordinates	7240151.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ciprofloxacin Hydrochloride 1.43 Hydrate
Chemical name	Ciprofloxacin Hydrochloride 1.43 Hydrate
Formula	C17 H21.86 Cl F N3 O4.43
Calculated formula	C17 H21.86 Cl F N3 O4.43
Title of publication	Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data
Authors of publication	Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2020
a	7.02521 ± 0.00013 Å
b	19.6681 ± 0.0004 Å
c	12.9331 ± 0.0002 Å
α	90°
β	90.7338 ± 0.0007°
γ	90°
Cell volume	1786.85 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249598 (current)	2020-03-21	cif/ Adding structures of 7240151, 7240152, 7240153 via cif-deposit CGI script.	7240151.cif