Information card for entry 2212737

Structure parameters

• Chemical name: 3,5-Difluorobenzohydrazide
• Formula: C7 H6 F2 N2 O
• Calculated formula: C7 H6 F2 N2 O
• SMILES: c1c(cc(cc1C(=O)NN)F)F
• Title of publication: 3,5-Difluorobenzohydrazide
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Muhammad Zareef; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1176 - o1177
• a: 3.8635 ± 0.0004 Å
• b: 6.4199 ± 0.0006 Å
• c: 29.589 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 733.9 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes