Crystallography Open Database

Information card for entry 1519192

1519191 << 1519192 >> 1519193

Preview

Coordinates	1519192.cif

Structure parameters

Formula	C17 H18 N4 O2 S
Calculated formula	C17 H18 N4 O2 S
SMILES	S(=O)(=O)(N=c1[nH]cccc1)c1ccc(N)cc1.c1(ccncc1)C
Title of publication	4-Amino-N-pyridin-2-yl-benzenesulfonamide and 4-methyl-pyridine solvate
Authors of publication	Threlfall, Terry L; Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C
Journal of publication	Crystal Structure Report Archive
Year of publication	1998
Pages of publication	160
a	8.252 ± 0.002 Å
b	10.535 ± 0.002 Å
c	19.923 ± 0.004 Å
α	90°
β	99.17 ± 0.03°
γ	90°
Cell volume	1709.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0629
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	0.88
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.	1519192.cif
135509	2015-05-05	cif/ Adding structures of 1519192 via cif-deposit CGI script.	1519192.cif