Crystallography Open Database

Information card for entry 1519278

1519277 << 1519278 >> 1519279

Preview

Coordinates	1519278.cif

Structure parameters

Formula	C12 H13 N3 O2 S
Calculated formula	C12 H13 N3 O2 S
SMILES	S(=O)(=O)(N=c1[nH]ccc(c1)C)c1ccc(cc1)N
Title of publication	4-Amino-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	180
a	15.837 ± 0.003 Å
b	8.6247 ± 0.0017 Å
c	18.643 ± 0.004 Å
α	90°
β	94.14 ± 0.03°
γ	90°
Cell volume	2539.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.104
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	1519278.cif
135628	2015-05-06	cif/ Adding structures of 1519278 via cif-deposit CGI script.	1519278.cif