Crystallography Open Database

Information card for entry 2238884

Preview

Coordinates	2238884.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-(Phenylselenonyl)pyridine
Formula	C11 H9 N O2 Se
Calculated formula	C11 H9 N O2 Se
SMILES	[Se](=O)(=O)(c1ncccc1)c1ccccc1
Title of publication	2-(Phenylselenonyl)pyridine
Authors of publication	Gulati, Shivani; Bhasin, K. K.; Potapov, V. A.; Arora, Ekta; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1791
a	6.1598 ± 0.0005 Å
b	7.7223 ± 0.0006 Å
c	11.4952 ± 0.0007 Å
α	80.683 ± 0.006°
β	83.494 ± 0.006°
γ	74.614 ± 0.007°
Cell volume	518.83 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238884.cif
92228	2014-01-12	cif/ Adding structures of 2238884 via cif-deposit CGI script.	2238884.cif