Crystallography Open Database

Information card for entry 1519277

1519276 << 1519277 >> 1519278

Preview

Coordinates	1519277.cif

Structure parameters

Formula	C12 H13 N3 O2 S
Calculated formula	C12 H13 N3 O2 S
SMILES	[nH]1cccc(C)c1=NS(=O)(=O)c1ccc(N)cc1
Title of publication	4-Amino-N-(3-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	178
a	18.175 ± 0.004 Å
b	8.1029 ± 0.0016 Å
c	16.535 ± 0.003 Å
α	90°
β	91.08 ± 0.03°
γ	90°
Cell volume	2434.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1519277.cif
135627	2015-05-06	cif/ Adding structures of 1519277 via cif-deposit CGI script.	1519277.cif