Crystallography Open Database

Information card for entry 1519210

1519209 << 1519210 >> 1519211

Preview

Coordinates	1519210.cif

Structure parameters

Common name	benzenesulfonamido-5-chloropyridine
Chemical name	Benzenesulfonamido-5-chloropyridine
Formula	C11 H9 Cl N2 O2 S
Calculated formula	C11 H9 Cl N2 O2 S
SMILES	S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccccc1
Title of publication	N-(5-Chloro-pyridin-2-yl)-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	172
a	9.643 ± 0.002 Å
b	11.069 ± 0.002 Å
c	11.162 ± 0.002 Å
α	93.35 ± 0.03°
β	102.12 ± 0.03°
γ	98.2 ± 0.03°
Cell volume	1148.1 ± 0.4 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	0.0501
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	1519210.cif
135527	2015-05-05	cif/ Adding structures of 1519210 via cif-deposit CGI script.	1519210.cif