Information card for entry 2015612

Structure parameters

• Chemical name: 2-Nitrobenzohydrazide
• Formula: C7 H7 N3 O3
• Calculated formula: C7 H7 N3 O3
• SMILES: c1(C(=O)NN)c(N(=O)=O)cccc1
• Title of publication: Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
• Authors of publication: Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o618 - o624
• a: 12.5382 ± 0.001 Å
• b: 4.9867 ± 0.0002 Å
• c: 12.8637 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 804.29 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes