Information card for entry 2013804

Structure parameters

• Chemical name: 4-Nitrobenzaldehyde hydrazone
• Formula: C7 H7 N3 O2
• Calculated formula: C7 H7 N3 O2
• SMILES: c1(ccc(cc1)N(=O)=O)/C=N/N
• Title of publication: Hydrogen bonding in nitroaniline analogues: 4-nitrobenzaldehyde hydrazone forms hydrogen-bonded sheets of <i>R</i>_<b>4</b>^<b>4</b>(26) rings
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o33 - o34
• a: 3.707 ± 0.0002 Å
• b: 6.3963 ± 0.0003 Å
• c: 15.4047 ± 0.001 Å
• α: 90°
• β: 95.064 ± 0.002°
• γ: 90°
• Cell volume: 363.84 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes