2-Amino-5-( p-nitrophenylsulfonyl)-1,3-thiazole

This material is Open Knowlege

<< Table of Contents

Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2006/07-00

Article (via DOI): 10.1107/S1600536806020162
Compound Class:organic
Date Recorded:2006-05-17

Contact Author: Dr Tuncer Hokelek
e-mail: merzifon@hacettepe.edu.tr

Data collection parameters
Chemical formula sum C 9H 7N 3O 4S 2
Chemical formula moiety C 9H 7N 3O 4S 2
Crystal system monoclinic
Space group H-M P 21/c
Space group Hall -P 2ybc
Data collection temperature 296.0

Refinement results
R Factor (Obs) 0.0405
R Factor (All) 0.0439
Weighted R Factor (Obs) 0.1034
Weighted R Factor (All) 0.1055

Available Resources

Crystal Components
Moieties

Result files
Raw CML
Complete CML
CIF ( cached / original)

Validation
CheckCIF

Images
Ellipsoid

Show no. of unit cells along axis:

a:


b:


c:


Enter Jmol script:

InChI:

InChI=1/C9H7N3O4S2/c10- 9- 11- 5- 8(17- 9)18(15,16)7- 3- 1- 6(2- 4- 7)12(13)14/h1- 5H,(H2,10,11)

SMILES:

[H]C=1N=C(N([H]) [H]) SC=1S(=O) (=O) C2=C([H]) C([H]) =C(C([H]) =C2([H]) ) [N+](=O) [O-]