Information card for entry 7126208

Structure parameters

• Common name: Malonic dihydrazide
• Chemical name: Propanedihydrazide
• Formula: C3 H10 N4 O3
• Calculated formula: C3 H10 N4 O3
• SMILES: O=C(NN)CC(=O)NN.O
• Title of publication: A strategy to construct fluorescent non-aromatic small-molecules: hydrogen bonds contributing to the unexpected fluorescence.
• Authors of publication: Guan, Ruifang; Dong, Baoli; Xu, Cui; Zhang, Hao; Cao, Duxia; Lin, Weiying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4424 - 4427
• a: 9.1606 ± 0.0006 Å
• b: 9.7305 ± 0.0006 Å
• c: 7.8691 ± 0.0006 Å
• α: 90°
• β: 102.839 ± 0.007°
• γ: 90°
• Cell volume: 683.89 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No