Information card for entry 2021350

Structure parameters

• Chemical name: Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)
• Formula: C38 H46 N8
• Calculated formula: C38 H46 N8
• SMILES: N(=C(c1ccc(cc1)N(C)C)c1ccc(N(C)C)cc1)/N=C(/C(=N/N=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)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: 11.8988 ± 0.0004 Å
• b: 8.1189 ± 0.0003 Å
• c: 18.4205 ± 0.0006 Å
• α: 90°
• β: 98.961 ± 0.002°
• γ: 90°
• Cell volume: 1757.8 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes