Crystallography Open Database

Information card for entry 4508716

Preview

Coordinates	4508716.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-hydroxypyridine-N-oxide
Chemical name	3-hydroxypyridine-N-oxide
Formula	C5 H5 N O2
Calculated formula	C5 H5 N O2
Title of publication	Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules
Authors of publication	Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1278
a	6.3536 ± 0.0008 Å
b	6.5014 ± 0.0008 Å
c	6.9499 ± 0.0008 Å
α	113.794 ± 0.002°
β	99.65 ± 0.002°
γ	106.93 ± 0.002°
Cell volume	237.59 ± 0.05 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	0.0416
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179623 (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 4/50/87.	4508716.cif
96882	2014-01-29	cif/ Adding structures of 4508716 via cif-deposit CGI script.	4508716.cif