Crystallography Open Database

Information card for entry 1519226

1519225 << 1519226 >> 1519227

Preview

Coordinates	1519226.cif

Structure parameters

Common name	Benzenesulfonamido-5-methylpyridine
Chemical name	Benzenrsulfonamido-5-methylpyridine
Formula	C12 H12 N2 O2 S
Calculated formula	C12 H12 N2 O2 S
SMILES	S(=O)(=O)(N=c1[nH]cc(cc1)C)c1ccccc1
Title of publication	N-(5-Methyl-pyridin-2-yl)-benzenesulfonamide
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.
Journal of publication	Crystal Structure Report Archive
Year of publication	1999
Pages of publication	163
a	11.754 ± 0.002 Å
b	13.88 ± 0.003 Å
c	7.205 ± 0.001 Å
α	90°
β	107.18 ± 0.03°
γ	90°
Cell volume	1123 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	1519226.cif
135544	2015-05-05	cif/ Adding structures of 1519226 via cif-deposit CGI script.	1519226.cif