Information card for entry 2244124

Structure parameters

• Common name: 1-(2-Methoxyphenyl)piperazinium 3,5-dintrosalicylate
• Chemical name: 4-(2-Methoxyphenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate
• Formula: C18 H20 N4 O8
• Calculated formula: C18 H20 N4 O8
• Title of publication: Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate
• Authors of publication: Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 8
• a: 7.3729 ± 0.0006 Å
• b: 8.4842 ± 0.0007 Å
• c: 15.5411 ± 0.0013 Å
• α: 88.954 ± 0.004°
• β: 81.333 ± 0.004°
• γ: 89.352 ± 0.003°
• Cell volume: 960.85 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No