Crystallography Open Database

Information card for entry 7217032

Preview

Coordinates	7217032.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sulfacetamide4-aminopyridineSalt
Chemical name	N-4-aminophenylsulfonylacetamidePyridine-4-amine
Formula	C13 H16 N4 O3 S
Calculated formula	C13 H16 N4 O3 S
SMILES	S(=O)([O-])(c1ccc(cc1)N)=NC(=O)C.[nH+]1ccc(cc1)N
Title of publication	Modulating the solubility of sulfacetamide by means of cocrystals
Authors of publication	Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	26
Pages of publication	5859
a	7.7413 ± 0.0007 Å
b	17.8726 ± 0.0016 Å
c	11.0065 ± 0.001 Å
α	90°
β	97.879 ± 0.001°
γ	90°
Cell volume	1508.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0552
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
180501 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70.	7217032.cif
119362	2014-07-06	cif/ Adding structures of 7217032, 7217033, 7217034, 7217035, 7217036 via cif-deposit CGI script.	7217032.cif