Isostructuralism among "bridge-flipped" isomeric benzylideneanilines and phenylhydrazones

This material is Open Knowlege

<< Table of Contents

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 12N 2
Chemical formula moiety C 15H 12N 2
Crystal system monoclinic
Space group H-M P 1 21/n 1
Space group Hall
Data collection temperature 173.0

Refinement results
R Factor (Obs) 0.0369
R Factor (All) 0.0467
Weighted R Factor (Obs) 0.0884
Weighted R Factor (All) 0.0931

Available Resources

Crystal Components
Moieties

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

Validation
CheckCIF

Images
Ellipsoid

The structure displayed is the major occupied structure from the crystal.

Show no. of unit cells along axis:

a:


b:


c:


Enter Jmol script:

InChI:

InChI=1/C15H12N2/c1- 12- 2- 4- 14(5- 3- 12)11- 17- 15- 8- 6- 13(10- 16)7- 9- 15/h2- 9,11H,1H3/b17- 11+

SMILES:

[H]C(=NC1=C([H]) C([H]) =C(C#N) C([H]) =C1([H]) ) C2=C([H]) C([H]) =C(C([H]) =C2([H]) ) C([H]) ([H]) [H]