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Publisher: The American Chemical Society
Journal: Inorganic Chemistry
Year/Issue: 2008/3

Article (via DOI): 10.1021/ic7019445
Compound Class:organic
Date Recorded:

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Data collection parameters

Chemical formula sum
Chemical formula moietyC15H15N5O2
Crystal systemTriclinic
Space group H-MP -1
Space group Hall-P 1
Data collection temperature193.0

Refinement results

R Factor (Obs)0.0474
R Factor (All)0.0835
Weighted R Factor (Obs)0.1205
Weighted R Factor (All)0.137

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML

Validation

CheckCIF

Images

Ellipsoid

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InChI:

InChI=1/C15H15N5O2/c1-11-3-7-13(8-4-11)16-18-15(20(21)22)19-17-14-9-5-12(2)6-10-14/h3-10,16H,1-2H3/b18-15+,19-17+

SMILES:

[H]C=2C([H])=C(C([H])=C([H])C=2(N=NC(=NN([H])C1=C([H])C([H])=C(C([H])=C1([H]))C([H])([H])[H])[N+](=O)[O-]))C([H])([H])[H]