Crystallography Open Database

Information card for entry 4506810

Preview

Coordinates	4506810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N2 O4
Calculated formula	C15 H15 N2 O4
Title of publication	Polymorphs and Cocrystals of Nalidixic Acid
Authors of publication	Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	10
Pages of publication	4963
a	7.559 ± 0.004 Å
b	9.765 ± 0.004 Å
c	10.036 ± 0.004 Å
α	87.82 ± 0.03°
β	87.78 ± 0.04°
γ	67.56 ± 0.04°
Cell volume	684 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179604 (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 4/50/68.	4506810.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506810.cif
71827	2013-01-21	cif/ Adding structures of 4506810 via cif-deposit CGI script.	4506810.cif