6-[(5-tert-Butyl-2-hydroxyanilino)methylene]cyclohexa-2,4-dienone

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section E
Year/Issue: 2008/01-00

Article (via DOI): 10.1107/S1600536807061211
Compound Class:organic
Date Recorded:2007-11-20

Contact Author:
e-mail: uwe.boehme@chemie.tu-freiberg.de

Data collection parameters

Chemical formula sum
Chemical formula moietyC17H19NO2
Crystal systemMonoclinic
Space group H-MP 21/c
Space group Hall-P 2ybc
Data collection temperature153.0

Refinement results

R Factor (Obs)0.0393
R Factor (All)0.0506
Weighted R Factor (Obs)0.1025
Weighted R Factor (All)0.1084

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

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b:


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InChI:

InChI=1/C17H19NO2/c1-17(2,3)13-8-9-16(20)14(10-13)18-11-12-6-4-5-7-15(12)19/h4-11,18,20H,1-3H3/b12-11-

SMILES:

[H]OC=1C([H])=C([H])C(=C([H])C=1N([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2(=O))C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]