2-Anilino-4,5-dimethyl-1,3-thiazole

This material is Open Knowlege

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

Article (via DOI): 10.1107/S1600536806022379
Compound Class:organic
Date Recorded:2006-06-02

Contact Author: Prof. Bohari M. Yamin
e-mail: bohari@pkrisc.cc.ukm.my

Data collection parameters
Chemical formula sum C 11H 12N 2S
Chemical formula moiety C 11H 12N 2S
Crystal system Monoclinic
Space group H-M C 2/c
Space group Hall -C 2yc
Data collection temperature 298.0

Refinement results
R Factor (Obs) 0.044
R Factor (All) 0.065
Weighted R Factor (Obs) 0.109
Weighted R Factor (All) 0.12

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/C11H12N2S/c1- 8- 9(2)14- 11(12- 8)13- 10- 6- 4- 3- 5- 7- 10/h3- 7H,1- 2H3,(H,12,13)

SMILES:

[H]C=1C([H]) =C([H]) C(=C([H]) C=1([H]) ) N([H]) C2=NC(=C(C([H]) ([H]) [H]) S2) C([H]) ([H]) [H]