Information card for entry 2233381

Structure parameters

• Chemical name: 1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1<i>H</i>-benzotriazole)
• Formula: C17 H18 N8
• Calculated formula: C17 H18 N8
• SMILES: N1(CN(CC1)Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
• Title of publication: 1,1'-[Imidazolidine-1,3-diylbis(methylene)]bis(1<i>H</i>-benzotriazole)
• Authors of publication: Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o312 - o313
• a: 11.8609 ± 0.0006 Å
• b: 4.6429 ± 0.0002 Å
• c: 14.4712 ± 0.0008 Å
• α: 90°
• β: 93.053 ± 0.004°
• γ: 90°
• Cell volume: 795.78 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes