Crystallography Open Database

Information card for entry 4506237

Preview

Coordinates	4506237.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Phenazopyridine Saccharate
Formula	C18 H18 N6 O3 S
Calculated formula	C18 H16 N6 O3 S
Title of publication	Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability
Authors of publication	Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3144
a	7.4108 ± 0.0005 Å
b	7.8292 ± 0.0005 Å
c	17.7574 ± 0.0009 Å
α	84.729 ± 0.005°
β	85.353 ± 0.005°
γ	63.728 ± 0.007°
Cell volume	919.02 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.059
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179598 (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 4/50/62.	4506237.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506237.cif
62201	2012-07-07	cif/ Adding structures of 4506237 via cif-deposit CGI script.	4506237.cif