Information card for entry 7211564

Structure parameters

• Common name: 4-nitrobenzohydrazide
• Chemical name: 4-nitrobenzohydrazide
• Formula: C7 H7 N3 O3
• Calculated formula: C7 H7 N3 O3
• SMILES: C(=O)(c1ccc(cc1)N(=O)=O)NN
• Title of publication: Competitive H-bonding synthons in organic hydrazides
• Authors of publication: Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1186
• a: 21.648 ± 0.007 Å
• b: 3.594 ± 0.003 Å
• c: 9.704 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 755 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No