N-(3,5-Dinitrobenzoyl)-N'-phenylhydrazine: sheets built from N&singlebond;H...O and C&singlebond;H...O hydrogen bonds

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

Article (via DOI): 10.1107/S1600536806020228
Compound Class:organic
Date Recorded:2006-05-26

Contact Author: Dr Christopher Glidewell
e-mail: cg@st-andrews.ac.uk

Data collection parameters

Chemical formula sumC13H10N4O5
Chemical formula moietyC13H10N4O5
Crystal systemmonoclinic
Space group H-MP 21/n
Space group Hall-P 2yn
Data collection temperature120.0

Refinement results

R Factor (Obs)0.0521
R Factor (All)0.0953
Weighted R Factor (Obs)0.117
Weighted R Factor (All)0.1444

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:


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InChI:

InChI=1/C13H10N4O5/c18-13(15-14-10-4-2-1-3-5-10)9-6-11(16(19)20)8-12(7-9)17(21)22/h1-8,14H,(H,15,18)

SMILES:

[H]C1=C([H])C([H])=C(C([H])=C1([H]))N([H])N([H])C(=O)C2=C([H])C(=C([H])C(=C2([H]))[N+](=O)[O-])[N+](=O)[O-]