Information card for entry 2021348

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: C(=N\N=C(\C(=N\N=C(c1ccc(cc1)C)c1ccc(cc1)C)C)C)(c1ccc(cc1)C)c1ccc(cc1)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: 7.6122 ± 0.0004 Å
• b: 10.7586 ± 0.0006 Å
• c: 18.3363 ± 0.0011 Å
• α: 104.238 ± 0.002°
• β: 95.169 ± 0.002°
• γ: 107.232 ± 0.002°
• Cell volume: 1368.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes