Information card for entry 7224753

Structure parameters

• Formula: C21 H18 N4
• Calculated formula: C21 H18 N4
• SMILES: n12c(nc(c1N=Nc1ccc(C)cc1)c1ccccc1)c(C)ccc2
• Title of publication: tert-Butyl nitrite mediated azo coupling between anilines and imidazoheterocycles
• Authors of publication: Hajra, Alakananda; Chakraborty, Amrita; Jana, Sourav; Kibriya, Golam; Dey, Amrita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.532 ± 0.003 Å
• b: 9.63 ± 0.003 Å
• c: 17.838 ± 0.005 Å
• α: 90°
• β: 98.075 ± 0.007°
• γ: 90°
• Cell volume: 1621.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No