Isostructuralism among "bridge-flipped" isomeric benzylideneanilines and phenylhydrazones

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Publisher: Acta Crystallographica
Journal: Section B
Year/Issue: 2007/03-00

Article (via DOI): 10.1107/S0108768107018034
Compound Class:organic
Date Recorded:2007-01-04

Contact Author: William H. Ojala
e-mail: whojala@stthomas.edu

Data collection parameters
Chemical formula sum C 15H 12F 3N
Chemical formula moiety C 15H 12F 3N
Crystal system monoclinic
Space group H-M P 1 21/c 1
Space group Hall
Data collection temperature 173.0

Refinement results
R Factor (Obs) 0.0322
R Factor (All) 0.035
Weighted R Factor (Obs) 0.0821
Weighted R Factor (All) 0.084

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/C15H12F3N/c1- 11- 6- 2- 5- 9- 14(11)19- 10- 12- 7- 3- 4- 8- 13(12)15(16,17)18/h2- 10H,1H3/b19- 10+

SMILES:

[H]C(=NC=1C([H]) =C([H]) C([H]) =C([H]) C=1C([H]) ([H]) [H]) C=2C([H]) =C([H]) C([H]) =C([H]) C=2C(F) (F) F