Information card for entry 2021349

Structure parameters

• Chemical name: Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}
• Formula: C34 H34 N4
• Calculated formula: C34 H34 N4
• SMILES: N(=C(\c1ccc(cc1)C)c1ccc(cc1)C)\N=C(C)\C(=N\N=C(c1ccc(C)cc1)\c1ccc(cc1)C)C
• 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: 7.727 ± 0.0015 Å
• b: 8.9264 ± 0.0017 Å
• c: 10.491 ± 0.002 Å
• α: 97.989 ± 0.007°
• β: 96.215 ± 0.007°
• γ: 106.294 ± 0.007°
• Cell volume: 679.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes