Information card for entry 8102206

Structure parameters

• Chemical name: 1-(2,3-dimethylphenyl)piperazine dihydrogendiphosphate
• Formula: C24 H40 N4 O7 P2
• Calculated formula: C24 H40 N4 O7 P2
• SMILES: P(=O)(O)(OP(=O)(O)[O-])[O-].N1(c2c(c(ccc2)C)C)CC[NH2+]CC1.N1(c2c(c(ccc2)C)C)CC[NH2+]CC1
• Title of publication: Crystal structure of 1-(2,3-dimethylphenyl)piperazinium dihydrogendiphosphate, [C~12~H~19~N~2~]~2~[H~2~P~2~O~7~]
• Authors of publication: Mechergui, Jalloul; Belam, Wahid; Rzaigui, Mohamed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 412 - 414
• a: 6.227 ± 0.005 Å
• b: 12.962 ± 0.003 Å
• c: 17.327 ± 0.006 Å
• α: 94.65 ± 0.02°
• β: 98.41 ± 0.05°
• γ: 97.48 ± 0.05°
• Cell volume: 1364.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.089
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No