Information card for entry 2210902

Structure parameters

• Chemical name: 5-Fluoro-1H-indole-2-carbohydrazide
• Formula: C9 H8 F N3 O
• Calculated formula: C9 H8 F N3 O
• SMILES: c12ccc(cc1cc(C(=O)NN)[nH]2)F
• Title of publication: 5-Fluoro-1<i>H</i>-indole-2-carbohydrazide
• Authors of publication: Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4986 - o4988
• a: 10.0451 ± 0.0003 Å
• b: 9.4978 ± 0.0002 Å
• c: 18.5293 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1767.81 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes