Crystallography Open Database

Information card for entry 1519283

1519282 << 1519283 >> 1519284

Preview

Coordinates	1519283.cif

Structure parameters

Formula	C13 H14 N2 O2 S
Calculated formula	C13 H14 N2 O2 S
SMILES	S(=O)([O-])(=Nc1[nH+]ccc(c1)C)c1ccc(cc1)C
Title of publication	4-Methyl-N-(4-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide
Authors of publication	Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	193
a	10.778 ± 0.002 Å
b	15.436 ± 0.003 Å
c	15.688 ± 0.003 Å
α	90°
β	102.46 ± 0.03°
γ	90°
Cell volume	2548.5 ± 0.9 Å³
Cell temperature	293 ± 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2038
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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.	1519283.cif
135633	2015-05-06	cif/ Adding structures of 1519283 via cif-deposit CGI script.	1519283.cif