Crystallography Open Database

Information card for entry 4506236

Preview

Coordinates	4506236.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	phenazopyridine 4-hydroxyphenylacetic acid
Formula	C19 H19 N5 O3
Calculated formula	C19 H19 N5 O3
SMILES	O=C(Cc1ccc(cc1)O)[O-].c1ccc(cc1)/N=N/c1ccc(N)[nH+]c1N
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	13.2789 ± 0.0002 Å
b	10.3034 ± 0.0002 Å
c	26.0066 ± 0.0004 Å
α	90°
β	97.728 ± 0.002°
γ	90°
Cell volume	3525.85 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4506236.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506236.cif
62200	2012-07-07	cif/ Adding structures of 4506236 via cif-deposit CGI script.	4506236.cif