Crystallography Open Database

Information card for entry 4508713

Preview

Coordinates	4508713.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-hydroxy-2-methylpyridine
Chemical name	3-hydroxy-2-methylpyridine
Formula	C6 H7 N O
Calculated formula	C6 H7 N O
SMILES	Oc1cccnc1C
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	11.053 ± 0.002 Å
b	9.6151 ± 0.0019 Å
c	11.316 ± 0.002 Å
α	90°
β	100.64 ± 0.03°
γ	90°
Cell volume	1181.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2062
Residual factor for significantly intense reflections	0.1495
Weighted residual factors for significantly intense reflections	0.2791
Weighted residual factors for all reflections included in the refinement	0.305
Goodness-of-fit parameter for all reflections included in the refinement	1.323
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
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.	4508713.cif
96879	2014-01-29	cif/ Adding structures of 4508713 via cif-deposit CGI script.	4508713.cif