Crystallography Open Database

Information card for entry 1519219

1519218 << 1519219 >> 1519220

Preview

Coordinates	1519219.cif

Structure parameters

Common name	tosylamido-5-chloropyridine
Chemical name	tosylamido-5-chloropyridine
Formula	C12 H11 Cl N2 O2 S
Calculated formula	C12 H11 Cl N2 O2 S
SMILES	S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccc(C)cc1
Title of publication	N-(5-Chloro-pyridin-2-yl)-4-methyl-benzenesulfonamide
Authors of publication	Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1999
Pages of publication	176
a	9.748 ± 0.002 Å
b	10.889 ± 0.002 Å
c	12.473 ± 0.002 Å
α	80.32 ± 0.03°
β	79.02 ± 0.03°
γ	74.54 ± 0.03°
Cell volume	1243 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519219.cif
135537	2015-05-05	cif/ Adding structures of 1519219 via cif-deposit CGI script.	1519219.cif