Crystallography Open Database

Information card for entry 7212507

Preview

Coordinates	7212507.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pyridine
Chemical name	pyridine
Formula	C5 H5 N
Calculated formula	C5 H5 N
SMILES	n1ccccc1
Title of publication	Density, freezing and molecular aggregation in pyridazine, pyridine and benzene
Authors of publication	Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	9
Pages of publication	2561
a	17.267 ± 0.004 Å
b	8.764 ± 0.0018 Å
c	11.006 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1665.5 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Ambient diffracton pressure	1230000 kPa
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
180456 (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 7/21/25.	7212507.cif
93072	2014-01-12	cif/ Adding structures of 7212505, 7212506, 7212507, 7212508 via cif-deposit CGI script.	7212507.cif