Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2- a]pyridine- 6-carboxylate

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

Article (via DOI): 10.1107/S1600536806020824
Compound Class:organic
Date Recorded:2006-05-25

Contact Author: Professor Chu-Yi Yu
e-mail: yucy@iccas.ac.cn

Data collection parameters
Chemical formula sum C 23H 22N 2O 4
Chemical formula moiety C 23H 22N 2O 4
Crystal system Monoclinic
Space group H-M P 21/c
Space group Hall -P 2ybc
Data collection temperature 294.0

Refinement results
R Factor (Obs) 0.0468
R Factor (All) 0.0795
Weighted R Factor (Obs) 0.1175
Weighted R Factor (All) 0.139

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/C23H22N2O4/c1- 2- 29- 23(28)19- 17(15- 9- 5- 3- 6- 10- 15)18(20(26)16- 11- 7- 4- 8- 12- 16)21- 24- 13- 14- 25(21)22(19)27/h3- 12,17,19,24H,2,13- 14H2,1H3/t17- ,19+/m0/s1

SMILES:

[H]C1=C([H]) C([H]) =C(C([H]) =C1([H]) ) C(=O) C3=C4N([H]) C([H]) ([H]) C([H]) ([H]) N4(C(=O) [C@]([H]) (C(=O) OC([H]) ([H]) C([H]) ([H]) [H]) [C@]3(C2=C([H]) C([H]) =C([H]) C([H]) =C2([H]) ) ([H]) )