Crystallography Open Database

Information card for entry 7219235

7219234 << 7219235 >> 7219236

Preview

Coordinates	7219235.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-ODHPCA
Chemical name	2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
Formula	C6 H5 N O3
Calculated formula	C6 H5 N O3
SMILES	c1(=O)c(ccc[nH]1)C(=O)O
Title of publication	Solid-state identity of 2-hydroxynicotinic acid and its polymorphism
Authors of publication	Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	28
Pages of publication	5195
a	9.997 ± 0.002 Å
b	3.754 ± 0.001 Å
c	15.362 ± 0.003 Å
α	90°
β	106.31 ± 0.03°
γ	90°
Cell volume	553.3 ± 0.2 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
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	0.0569
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219235.cif
143454	2015-07-11	cif/ Updating files of 7219233, 7219234, 7219235, 7219236 Original log message: Adding full bibliography for 7219233--7219236.cif.	7219235.cif
129441	2015-01-08	cif/ Adding structures of 7219233, 7219234, 7219235, 7219236 via cif-deposit CGI script.	7219235.cif