Information card for entry 2241103

Structure parameters

• Common name: Morpholinium hydrogen bromanilate
• Chemical name: Morpholin-4-ium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate
• Formula: C10 H11 Br2 N O5
• Calculated formula: C10 H11 Br2 N O5
• Title of publication: Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K
• Authors of publication: Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1226 - 1229
• a: 8.62046 ± 0.00019 Å
• b: 9.2129 ± 0.0002 Å
• c: 9.4257 ± 0.0002 Å
• α: 93.5208 ± 0.0007°
• β: 112.914 ± 0.0007°
• γ: 115.976 ± 0.0007°
• Cell volume: 595.05 ± 0.02 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes