N'-( tert-Butylaminocarbonyl)- N-[2-(2,4-dichlorophenoxy) propionyl]thiourea

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/S1600536806020861
Compound Class:organic
Date Recorded:2006-05-14

Contact Author:
e-mail: ghliu@shnu.edu.cn

Data collection parameters
Chemical formula sum C 15H 19Cl 2N 3O 3S
Chemical formula moiety C 15H 19Cl 2N 3O 3S
Crystal system triclinic
Space group H-M P -1
Space group Hall -P 1
Data collection temperature 298.0

Refinement results
R Factor (Obs) 0.0802
R Factor (All) 0.1027
Weighted R Factor (Obs) 0.2321
Weighted R Factor (All) 0.2475

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:

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b:


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Enter Jmol script:

InChI:

InChI=1/C15H19Cl2N3O3S/c1- 8(23- 11- 6- 5- 9(16)7- 10(11)17)12(21)18- 14(24)19- 13(22)20- 15(2,3)4/h5- 8H,1- 4H3,(H3,18,19,20,21,22,24)/t8- /m1/s1

SMILES:

[H]C1=C([H]) C(=C([H]) C(=C1(O[C@]([H]) (C([H]) ([H]) [H]) C(=O) N([H]) C(N([H]) C(=O) N([H]) C(C([H]) ([H]) [H]) (C([H]) ([H]) [H]) C([H]) ([H]) [H]) =S) ) Cl) Cl