Crystallography Open Database

Information card for entry 7209773

7209772 << 7209773 >> 7209774

Preview

Coordinates	7209773.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	p-toluenesulfonamide
Formula	C7 H9 N O2 S
Calculated formula	C7 H9 N O2 S
SMILES	S(=O)(=O)(N)c1ccc(cc1)C
Title of publication	Crystalline products of tolbutamide decomposition in water after microwave treatment
Authors of publication	Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3582
a	5.1562 ± 0.0002 Å
b	8.325 ± 0.0004 Å
c	9.8583 ± 0.0007 Å
α	100.801 ± 0.005°
β	102.284 ± 0.004°
γ	90.371 ± 0.003°
Cell volume	405.68 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209773.cif
86093	2013-05-09	cif/ Adding structures of 7209772, 7209773 via cif-deposit CGI script.	7209773.cif