Information card for entry 7203536

Structure parameters

• Formula: C14 H14 N4
• Calculated formula: C14 H14 N4
• SMILES: N/N=C(c1ccccc1)\C(=N/N)c1ccccc1
• Title of publication: Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone
• Authors of publication: De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 670
• a: 27.0695 ± 0.0016 Å
• b: 6.1051 ± 0.0004 Å
• c: 32.4245 ± 0.0019 Å
• α: 90°
• β: 111.443 ± 0.001°
• γ: 90°
• Cell volume: 4987.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No