Information card for entry 2021351

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(C)\C(=N\N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C)/N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)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: 7.5278 ± 0.0008 Å
• b: 10.1875 ± 0.0011 Å
• c: 12.0834 ± 0.0013 Å
• α: 104.338 ± 0.005°
• β: 95.713 ± 0.005°
• γ: 98.717 ± 0.004°
• Cell volume: 878.3 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes