Information card for entry 2236025

Structure parameters

• Chemical name: 2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)
• Formula: C22 H23 Cl N6 O6
• Calculated formula: C22 H23 Cl N6 O6
• Title of publication: 2-[(2-Hydroxybenzyl)amino]pyrazinium perchlorate‒2-[(pyrazin-2-ylamino)methyl]phenol (1/1)
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2475
• a: 19.3402 ± 0.0014 Å
• b: 5.9467 ± 0.0003 Å
• c: 11.1761 ± 0.0009 Å
• α: 90°
• β: 116.263 ± 0.01°
• γ: 90°
• Cell volume: 1152.68 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes