Information card for entry 7014903

Structure parameters

• Formula: C15 H17 N3
• Calculated formula: C15 H17 N3
• SMILES: N(c1ccccc1)C(=NN(C)C)c1ccccc1
• Title of publication: Synthesis and coordination chemistry of tri-substituted benzamidrazones.
• Authors of publication: Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 514 - 522
• a: 8.8213 ± 0.0014 Å
• b: 9.2284 ± 0.0015 Å
• c: 9.3398 ± 0.0015 Å
• α: 80.219 ± 0.002°
• β: 75.043 ± 0.002°
• γ: 62.591 ± 0.002°
• Cell volume: 650.94 ± 0.18 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No