Information card for entry 2243764

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-(4-Bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole
• Formula: C23 H19 Br N4 O2
• Calculated formula: C23 H19 Br N4 O2
• SMILES: Brc1ccc(/N=N/c2[nH]c(c(n2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• Title of publication: Crystal structure of 2-[(<i>E</i>)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole: the first example of a structurally characterized triarylazoimidazole
• Authors of publication: Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 305 - 308
• a: 10.7812 ± 0.0009 Å
• b: 12.7877 ± 0.0011 Å
• c: 15.4575 ± 0.0013 Å
• α: 90°
• β: 109.635 ± 0.002°
• γ: 90°
• Cell volume: 2007.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes