Information card for entry 7211566

Structure parameters

• Common name: 4-aminobenzohydrazide
• Chemical name: 4-aminobenzohydrazide
• Formula: C7 H9 N3 O
• Calculated formula: C7 H9 N3 O
• SMILES: C(=O)(c1ccc(cc1)N)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: 5.416 ± 0.002 Å
• b: 13.971 ± 0.004 Å
• c: 9.958 ± 0.002 Å
• α: 90°
• β: 103.63 ± 0.02°
• γ: 90°
• Cell volume: 732.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No