Crystallography Open Database

Information card for entry 1519284

1519283 << 1519284 >> 1519285

Preview

Coordinates	1519284.cif

Structure parameters

Formula	C16 H20 N3 O4 S
Calculated formula	C16 H20 N3 O4 S
Title of publication	4-Amino-N-Pyridin-2-yl-benzenesulfonamide with Formic acid butyl ester
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	196
a	8.8031 ± 0.0018 Å
b	9.6811 ± 0.0019 Å
c	10.862 ± 0.002 Å
α	83.99 ± 0.03°
β	71.84 ± 0.03°
γ	78.35 ± 0.03°
Cell volume	860.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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.	1519284.cif
135634	2015-05-06	cif/ Adding structures of 1519284 via cif-deposit CGI script.	1519284.cif