Information card for entry 2021345

Structure parameters

• Chemical name: Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}
• Formula: C30 H22 F4 N4
• Calculated formula: C30 H22 F4 N4
• SMILES: Fc1ccc(C(=N/N=C(/C(=N/N=C(c2ccc(F)cc2)c2ccc(F)cc2)C)\C)c2ccc(F)cc2)cc1
• Title of publication: Polymorphism in some new bis-hydrazone compounds
• Authors of publication: Dwivedi, Bhavna; Das, Dinabandhu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 4.9137 ± 0.0003 Å
• b: 15.0053 ± 0.0009 Å
• c: 17.7776 ± 0.001 Å
• α: 86.452 ± 0.002°
• β: 86.481 ± 0.003°
• γ: 89.888 ± 0.003°
• Cell volume: 1305.79 ± 0.13 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes