Information card for entry 2101940

Structure parameters

• Chemical name: 1-(2-methoxyphenyl)piperazine picrate
• Formula: C17 H19 N5 O8
• Calculated formula: C17 H19 N5 O8
• SMILES: N1(c2c(OC)cccc2)CC[NH2+]CC1.c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines
• Authors of publication: Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 976 - 983
• a: 9.4085 ± 0.0006 Å
• b: 9.87 ± 0.0006 Å
• c: 10.9433 ± 0.0007 Å
• α: 77.563 ± 0.005°
• β: 81.341 ± 0.005°
• γ: 81.08 ± 0.005°
• Cell volume: 973.11 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1903
• Weighted residual factors for significantly intense reflections: 0.1718
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No