Information card for entry 2018673

Structure parameters

• Common name: ninhydrin dihydrazone
• Chemical name: (1<i>Z</i>,3<i>Z</i>)-1,3-dihydrazinylidene-1<i>H</i>-inden-2(3<i>H</i>)-one
• Formula: C9 H8 N4 O
• Calculated formula: C9 H8 N4 O
• SMILES: C\1(=N/N)C(=O)C(=N\N)/c2c1cccc2
• Title of publication: 1,3-Ninhydrin dihydrazone featuring an <i>R</i>~4~^4^(12) motif with f̱ øverline{4} symmetry and comprising only N and H atoms
• Authors of publication: Blake, Alexander J.; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o362 - o364
• a: 13.808 ± 0.006 Å
• b: 13.808 ± 0.006 Å
• c: 9.219 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1757.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes